1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid

C16H20N2O4 — CID 119176363

IUPAC1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)NCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C16H20N2O4/c19-13(10-12-6-2-1-3-7-12)17-11-14(20)18-16(15(21)22)8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyZAOPNBYOXKUUPK-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.86
Rot. Bonds6

About 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176363) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176363
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)NCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C16H20N2O4/c19-13(10-12-6-2-1-3-7-12)17-11-14(20)18-16(15(21)22)8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyZAOPNBYOXKUUPK-UHFFFAOYSA-N
XLogP0.86
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
CID 169041659
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 91834717
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (CID 119176363) is 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1ccccc1)NCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZAOPNBYOXKUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-13(10-12-6-2-1-3-7-12)17-11-14(20)18-16(15(21)22)8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).