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

C15H24N4O7 — CID 175155541

IUPAC[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid
SMILESCCC(CC)CN(C(=O)O)[C@@H]1O[C@@H](n2ccc(NO)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H24N4O7/c1-3-8(4-2)7-19(15(23)24)13-11(21)10(20)12(26-13)18-6-5-9(17-25)16-14(18)22/h5-6,8,10-13,20-21,25H,3-4,7H2,1-2H3,(H,23,24)(H,16,17,22)/t10-,11+,12-,13-/m1/s1
InChIKeyIEGTYTKZRPWPRW-YVECIDJPSA-N
MW372.38 g/mol
LogP0.04
Rot. Bonds7

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

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid (PubChem CID 175155541) has the molecular formula C15H24N4O7 and a molecular weight of 372.38 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid
PubChem CID175155541
Molecular FormulaC15H24N4O7
Molecular Weight372.38 g/mol
Exact Mass372.16
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid
SMILESCCC(CC)CN(C(=O)O)[C@@H]1O[C@@H](n2ccc(NO)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H24N4O7/c1-3-8(4-2)7-19(15(23)24)13-11(21)10(20)12(26-13)18-6-5-9(17-25)16-14(18)22/h5-6,8,10-13,20-21,25H,3-4,7H2,1-2H3,(H,23,24)(H,16,17,22)/t10-,11+,12-,13-/m1/s1
InChIKeyIEGTYTKZRPWPRW-YVECIDJPSA-N
XLogP0.04
TPSA157.38 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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]-(2-ethylbutyl)carbamic acid?
The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid (CID 175155541) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)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]-(2-ethylbutyl)carbamic acid?
The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid is CCC(CC)CN(C(=O)O)[C@@H]1O[C@@H](n2ccc(NO)nc2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid?
The InChIKey is IEGTYTKZRPWPRW-YVECIDJPSA-N. The full InChI is InChI=1S/C15H24N4O7/c1-3-8(4-2)7-19(15(23)24)13-11(21)10(20)12(26-13)18-6-5-9(17-25)16-14(18)22/h5-6,8,10-13,20-21,25H,3-4,7H2,1-2H3,(H,23,24)(H,16,17,22)/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]-(2-ethylbutyl)carbamic acid?
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-(2-ethylbutyl)carbamic acid has a molecular weight of 372.38 g/mol, XLogP of 0.04, 7 rotatable bonds, 5 hydrogen bond donors, and 9 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]-(2-ethylbutyl)carbamic acid is sourced from PubChem (CID 175155541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).