methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate

C11H19NO3 — CID 54564390

IUPACmethyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)CC1CCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(14)15-2)12-10(13)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyZSUHHGWKPXDYIV-QMMMGPOBSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds4

About methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate

methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate (PubChem CID 54564390) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
PubChem CID54564390
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)CC1CCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(14)15-2)12-10(13)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyZSUHHGWKPXDYIV-QMMMGPOBSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 97003915
but-3-enyl (2S)-2-[(2-cyclohexylacetyl)amino]propanoate
CID 95572887
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
methyl 2-[(2-cyclopentylacetyl)amino]propanoate;methyl 2-[(2-cyclopropylacetyl)amino]propanoate;methyl 2-[2-(2-cyclopropylacetyl)anilino]acetate
CID 67636104
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate (CID 54564390) is methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)CC1CCCC1.
What is the InChIKey of methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate?
The InChIKey is ZSUHHGWKPXDYIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(11(14)15-2)12-10(13)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate?
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate is sourced from PubChem (CID 54564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).