[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid

C15H23N5O7 — CID 175154684

IUPAC[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid
SMILESCN1CCC(N(C(=O)O)[C@@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O)CC1
InChIInChI=1S/C15H23N5O7/c1-18-5-2-8(3-6-18)20(15(24)25)13-11(22)10(21)12(27-13)19-7-4-9(17-26)16-14(19)23/h4,7-8,10-13,21-22,26H,2-3,5-6H2,1H3,(H,24,25)(H,16,17,23)/t10-,11+,12-,13-/m1/s1
InChIKeyQKWQOZYDMACLGZ-YVECIDJPSA-N
MW385.38 g/mol
LogP-1.30
Rot. Bonds4

About [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid (PubChem CID 175154684) has the molecular formula C15H23N5O7 and a molecular weight of 385.38 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid
PubChem CID175154684
Molecular FormulaC15H23N5O7
Molecular Weight385.38 g/mol
Exact Mass385.16
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid
SMILESCN1CCC(N(C(=O)O)[C@@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O)CC1
InChIInChI=1S/C15H23N5O7/c1-18-5-2-8(3-6-18)20(15(24)25)13-11(22)10(21)12(27-13)19-7-4-9(17-26)16-14(19)23/h4,7-8,10-13,21-22,26H,2-3,5-6H2,1H3,(H,24,25)(H,16,17,23)/t10-,11+,12-,13-/m1/s1
InChIKeyQKWQOZYDMACLGZ-YVECIDJPSA-N
XLogP-1.30
TPSA160.62 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(4-methoxyphenyl)carbamic acid
CID 175360752
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid
CID 175155541
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 59035000
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-aminoacetate
CID 155606814
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3-phenylpropanoate
CID 167529533
3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-2,2-dimethylpropanoic acid;methyl 2-methylpropanoate
CID 175943398
CID 155606810
CID 155606810
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl (2R)-2,5-diamino-5-oxopentanoate
CID 155606866
[(2R,3R,4R,5R)-2-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-5-(hydroxymethyl)-4-propan-2-yloxycarbonyloxyoxolan-3-yl] propan-2-yl carbonate
CID 172874291
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl](2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 172874092
[(3aR,4R,6R,6aR)-4-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 167279276
[(3aR,4R,6R,6aR)-4-deuterio-6-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-2-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl cyclopropanecarboxylate
CID 171589349

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid?
The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid (CID 175154684) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid?
The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid is CN1CCC(N(C(=O)O)[C@@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O)CC1.
What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid?
The InChIKey is QKWQOZYDMACLGZ-YVECIDJPSA-N. The full InChI is InChI=1S/C15H23N5O7/c1-18-5-2-8(3-6-18)20(15(24)25)13-11(22)10(21)12(27-13)19-7-4-9(17-26)16-14(19)23/h4,7-8,10-13,21-22,26H,2-3,5-6H2,1H3,(H,24,25)(H,16,17,23)/t10-,11+,12-,13-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid?
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid has a molecular weight of 385.38 g/mol, XLogP of -1.30, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(1-methylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 175154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).