(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride

C9H18ClNO2 — CID 69352302

IUPAC(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
SMILESC[C@@H](C(=O)O)N(C)C1CCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(9(11)12)10(2)8-5-3-4-6-8;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyPZODZEFLDOQQRA-FJXQXJEOSA-N
MW207.70 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride

(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride (PubChem CID 69352302) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
PubChem CID69352302
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
SMILESC[C@@H](C(=O)O)N(C)C1CCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(9(11)12)10(2)8-5-3-4-6-8;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyPZODZEFLDOQQRA-FJXQXJEOSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
CID 139977637
2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid
CID 114820671
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684
(2S)-2-[amino(cyclohexyl)amino]propanoic acid
CID 54156579
2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 20985922
2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 55096784
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]propanoic acid
CID 104967956
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
CID 116857513
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride (CID 69352302) is (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride is C[C@@H](C(=O)O)N(C)C1CCCC1.Cl.
What is the InChIKey of (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride?
The InChIKey is PZODZEFLDOQQRA-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-7(9(11)12)10(2)8-5-3-4-6-8;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride?
(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 69352302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).