methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate

C16H21NO3 — CID 110487402

IUPACmethyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-11(16(19)20-2)17-15(18)14-9-7-13(8-10-14)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyLBNLOPRGAINJOP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.64
Rot. Bonds4

About methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate

methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate (PubChem CID 110487402) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
PubChem CID110487402
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-11(16(19)20-2)17-15(18)14-9-7-13(8-10-14)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyLBNLOPRGAINJOP-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopentylbenzoyl)amino]propanoic acid
CID 110466073
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
methyl (2S)-2-benzamidopropanoate
CID 6364617
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
CID 7996479

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate (CID 110487402) is methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(C2CCCC2)cc1.
What is the InChIKey of methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate?
The InChIKey is LBNLOPRGAINJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(16(19)20-2)17-15(18)14-9-7-13(8-10-14)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate?
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate is sourced from PubChem (CID 110487402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).