1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid

C13H14N2O4 — CID 65450960

IUPAC1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(CNC(=O)c1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C13H14N2O4/c16-10(15-13(6-7-13)12(18)19)8-14-11(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyXMBAXAUKZBVWAC-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.15
Rot. Bonds5

About 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid

1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65450960) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65450960
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(CNC(=O)c1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C13H14N2O4/c16-10(15-13(6-7-13)12(18)19)8-14-11(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyXMBAXAUKZBVWAC-UHFFFAOYSA-N
XLogP0.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119176363
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1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
CID 169041659
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CID 3236722
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
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N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
4-[[2-(thiophene-2-carbonylamino)acetyl]amino]thiane-4-carboxylic acid
CID 120531061
1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 80740936
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
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CID 101335616

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid (CID 65450960) is 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid is O=C(CNC(=O)c1ccccc1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is XMBAXAUKZBVWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10(15-13(6-7-13)12(18)19)8-14-11(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid?
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65450960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).