(2S)-2-benzamido-2-cyclopropylacetic acid

C12H13NO3 — CID 94553117

IUPAC(2S)-2-benzamido-2-cyclopropylacetic acid
SMILESO=C(N[C@H](C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-10(12(15)16)8-6-7-8/h1-5,8,10H,6-7H2,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyYPYGJFUSDMGECZ-JTQLQIEISA-N
MW219.24 g/mol
LogP1.28
Rot. Bonds4

About (2S)-2-benzamido-2-cyclopropylacetic acid

(2S)-2-benzamido-2-cyclopropylacetic acid (PubChem CID 94553117) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S)-2-benzamido-2-cyclopropylacetic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-2-cyclopropylacetic acid
PubChem CID94553117
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(2S)-2-benzamido-2-cyclopropylacetic acid
SMILESO=C(N[C@H](C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-10(12(15)16)8-6-7-8/h1-5,8,10H,6-7H2,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyYPYGJFUSDMGECZ-JTQLQIEISA-N
XLogP1.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
CID 62696710
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 119213497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-2-cyclopropylacetic acid?
The IUPAC name of (2S)-2-benzamido-2-cyclopropylacetic acid (CID 94553117) is (2S)-2-benzamido-2-cyclopropylacetic acid.
What is the SMILES notation for (2S)-2-benzamido-2-cyclopropylacetic acid?
The canonical SMILES for (2S)-2-benzamido-2-cyclopropylacetic acid is O=C(N[C@H](C(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of (2S)-2-benzamido-2-cyclopropylacetic acid?
The InChIKey is YPYGJFUSDMGECZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-10(12(15)16)8-6-7-8/h1-5,8,10H,6-7H2,(H,13,14)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-benzamido-2-cyclopropylacetic acid?
(2S)-2-benzamido-2-cyclopropylacetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-2-cyclopropylacetic acid is sourced from PubChem (CID 94553117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).