[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate

C15H25N5O5 — CID 142604126

IUPAC[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate
SMILESNCCCCC(N)C(=O)OCC1CCC(n2ccc(NO)nc2=O)O1
InChIInChI=1S/C15H25N5O5/c16-7-2-1-3-11(17)14(21)24-9-10-4-5-13(25-10)20-8-6-12(19-23)18-15(20)22/h6,8,10-11,13,23H,1-5,7,9,16-17H2,(H,18,19,22)
InChIKeyXJCYFUZJPVUUOL-UHFFFAOYSA-N
MW355.40 g/mol
LogP-0.28
Rot. Bonds9

About [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate

[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate (PubChem CID 142604126) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate.

Molecular Properties

Compound Name[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate
PubChem CID142604126
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate
SMILESNCCCCC(N)C(=O)OCC1CCC(n2ccc(NO)nc2=O)O1
InChIInChI=1S/C15H25N5O5/c16-7-2-1-3-11(17)14(21)24-9-10-4-5-13(25-10)20-8-6-12(19-23)18-15(20)22/h6,8,10-11,13,23H,1-5,7,9,16-17H2,(H,18,19,22)
InChIKeyXJCYFUZJPVUUOL-UHFFFAOYSA-N
XLogP-0.28
TPSA154.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-amino-3-hydroxybutanoate;methanol
CID 156825372
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 142604179
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
[(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
[(3Z,6aR,7R,9R)-7-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-2,5-dioxo-6a,7,9,9a-tetrahydrofuro[3,4-b][1,4]dioxocin-9-yl]methyl (2R)-2-amino-3-hydroxypropanoate
CID 171724823
[5-[4-[[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetate
CID 20742980
[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate
CID 155887060
[(4aR,5R,7R,7aR)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-2,3-dioxo-4a,5,7,7a-tetrahydrofuro[3,4-b][1,4]dioxin-7-yl]methyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 167279291
(3S)-3-amino-4-[[(2R,3S,4R,5R)-5-deuterio-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]-4-oxobutanoic acid;(4S)-4-amino-5-[[(2R,3S,4R,5R)-5-deuterio-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]-5-oxopentanoic acid;[(2R,3S,4R,5R)-5-deuterio-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;[(2R,3S,4R,5R)-5-deuterio-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;[(2R,3S,4R,5R)-5-deuterio-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl (2S)-2,6-diaminohexanoate
CID 161250362
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-aminoacetate
CID 155606814
4-[(2,8-diamino-3-oxooctyl)amino]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 67943879
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906

Frequently Asked Questions

What is the IUPAC name of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate?
The IUPAC name of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate (CID 142604126) is [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate.
What is the SMILES notation for [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate?
The canonical SMILES for [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate is NCCCCC(N)C(=O)OCC1CCC(n2ccc(NO)nc2=O)O1.
What is the InChIKey of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate?
The InChIKey is XJCYFUZJPVUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O5/c16-7-2-1-3-11(17)14(21)24-9-10-4-5-13(25-10)20-8-6-12(19-23)18-15(20)22/h6,8,10-11,13,23H,1-5,7,9,16-17H2,(H,18,19,22).
What are the key properties of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate?
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate has a molecular weight of 355.40 g/mol, XLogP of -0.28, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate is sourced from PubChem (CID 142604126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).