(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid

C14H16FNO3 — CID 95031796

IUPAC(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-8-7-9(3-6-11(8)15)12(17)16-14(2,13(18)19)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyXAWJXOXTCQFQNX-CQSZACIVSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds4

About (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid

(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid (PubChem CID 95031796) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
PubChem CID95031796
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-8-7-9(3-6-11(8)15)12(17)16-14(2,13(18)19)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyXAWJXOXTCQFQNX-CQSZACIVSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
CID 103586744
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 65400283
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
CID 43163063
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid (CID 95031796) is (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid is Cc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)ccc1F.
What is the InChIKey of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is XAWJXOXTCQFQNX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8-7-9(3-6-11(8)15)12(17)16-14(2,13(18)19)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,16,17)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 265.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 95031796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).