(2S)-2-[amino(cyclohexyl)amino]propanoic acid

C9H18N2O2 — CID 54156579

IUPAC(2S)-2-[amino(cyclohexyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(N)C1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13)11(10)8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyOLMICDUONLWRJA-ZETCQYMHSA-N
MW186.25 g/mol
LogP0.97
Rot. Bonds3

About (2S)-2-[amino(cyclohexyl)amino]propanoic acid

(2S)-2-[amino(cyclohexyl)amino]propanoic acid (PubChem CID 54156579) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-[amino(cyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[amino(cyclohexyl)amino]propanoic acid
PubChem CID54156579
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-[amino(cyclohexyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(N)C1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13)11(10)8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyOLMICDUONLWRJA-ZETCQYMHSA-N
XLogP0.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
CID 69352302
(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
CID 139977637
2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 55096784
2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
CID 122082922
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083126
N-cyclohexylacetohydrazide
CID 89012430
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[amino(cyclohexyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[amino(cyclohexyl)amino]propanoic acid (CID 54156579) is (2S)-2-[amino(cyclohexyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[amino(cyclohexyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[amino(cyclohexyl)amino]propanoic acid is C[C@@H](C(=O)O)N(N)C1CCCCC1.
What is the InChIKey of (2S)-2-[amino(cyclohexyl)amino]propanoic acid?
The InChIKey is OLMICDUONLWRJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(12)13)11(10)8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[amino(cyclohexyl)amino]propanoic acid?
(2S)-2-[amino(cyclohexyl)amino]propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[amino(cyclohexyl)amino]propanoic acid is sourced from PubChem (CID 54156579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).