3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid

C10H17NO4 — CID 115729988

IUPAC3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1(O)CCCCC1
InChIInChI=1S/C10H17NO4/c12-8(13)4-7-11-9(14)10(15)5-2-1-3-6-10/h15H,1-7H2,(H,11,14)(H,12,13)
InChIKeyHNPMCHAIEIANKD-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.27
Rot. Bonds4

About 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid

3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid (PubChem CID 115729988) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid
PubChem CID115729988
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1(O)CCCCC1
InChIInChI=1S/C10H17NO4/c12-8(13)4-7-11-9(14)10(15)5-2-1-3-6-10/h15H,1-7H2,(H,11,14)(H,12,13)
InChIKeyHNPMCHAIEIANKD-UHFFFAOYSA-N
XLogP0.27
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
N-ethyl-1-hydroxycyclopentane-1-carboxamide
CID 131085818
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110921981
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
1-hydroxy-N-(2-methoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 111485529
1-hydroxy-N-(2-hydroxypropyl)cyclopentane-1-carboxamide
CID 130676498
1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
3-[2-[(1-methoxycyclopentanecarbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422421
3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid (CID 115729988) is 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid is O=C(O)CCNC(=O)C1(O)CCCCC1.
What is the InChIKey of 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid?
The InChIKey is HNPMCHAIEIANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-8(13)4-7-11-9(14)10(15)5-2-1-3-6-10/h15H,1-7H2,(H,11,14)(H,12,13).
What are the key properties of 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid?
3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclohexanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 115729988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).