2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid

C15H18N2O4 — CID 62695902

IUPAC2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
SMILESO=C(CCNC(=O)c1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C15H18N2O4/c18-12(17-13(15(20)21)10-6-7-10)8-9-16-14(19)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyJPXIWARZTOVXNJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.79
Rot. Bonds7

About 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid

2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid (PubChem CID 62695902) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
PubChem CID62695902
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
SMILESO=C(CCNC(=O)c1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C15H18N2O4/c18-12(17-13(15(20)21)10-6-7-10)8-9-16-14(19)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyJPXIWARZTOVXNJ-UHFFFAOYSA-N
XLogP0.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid
CID 119214036
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62697537
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 120521115
2-[3-(2-bromophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 119213508
N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
CID 51187247
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
CID 62696875
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid (CID 62695902) is 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid is O=C(CCNC(=O)c1ccccc1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid?
The InChIKey is JPXIWARZTOVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12(17-13(15(20)21)10-6-7-10)8-9-16-14(19)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid?
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 62695902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).