2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid

C13H24N2O4 — CID 115443988

IUPAC2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
SMILESNCC1(C(=O)NC(CCO)C(=O)O)CCCCCC1
InChIInChI=1S/C13H24N2O4/c14-9-13(6-3-1-2-4-7-13)12(19)15-10(5-8-16)11(17)18/h10,16H,1-9,14H2,(H,15,19)(H,17,18)
InChIKeyLKPUMSRPXBERFR-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.24
Rot. Bonds6

About 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid

2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 115443988) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
PubChem CID115443988
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
SMILESNCC1(C(=O)NC(CCO)C(=O)O)CCCCCC1
InChIInChI=1S/C13H24N2O4/c14-9-13(6-3-1-2-4-7-13)12(19)15-10(5-8-16)11(17)18/h10,16H,1-9,14H2,(H,15,19)(H,17,18)
InChIKeyLKPUMSRPXBERFR-UHFFFAOYSA-N
XLogP0.24
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316
(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
CID 107835682
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
CID 113311657
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 106161157
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
CID 113311705
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid (CID 115443988) is 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid is NCC1(C(=O)NC(CCO)C(=O)O)CCCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is LKPUMSRPXBERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c14-9-13(6-3-1-2-4-7-13)12(19)15-10(5-8-16)11(17)18/h10,16H,1-9,14H2,(H,15,19)(H,17,18).
What are the key properties of 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid?
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 115443988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).