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

C11H19NO3 — CID 51604978

IUPAC(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyXYROYDOGHLSWPI-QMMMGPOBSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

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

(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid (PubChem CID 51604978) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
PubChem CID51604978
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyXYROYDOGHLSWPI-QMMMGPOBSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
but-3-enyl (2S)-2-[(2-cyclohexylacetyl)amino]propanoate
CID 95572887
1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 119175764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid (CID 51604978) is (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid is C[C@H](NC(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid?
The InChIKey is XYROYDOGHLSWPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid?
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid is sourced from PubChem (CID 51604978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).