2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid

C13H13F2NO3 — CID 43655083

IUPAC2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO3/c14-9-3-4-10(11(15)5-9)13(19)16(7-12(17)18)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,17,18)
InChIKeyDEEFQKRMBWXPAI-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.90
Rot. Bonds5

About 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid

2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid (PubChem CID 43655083) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
PubChem CID43655083
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO3/c14-9-3-4-10(11(15)5-9)13(19)16(7-12(17)18)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,17,18)
InChIKeyDEEFQKRMBWXPAI-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 107794503
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid (CID 43655083) is 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid?
The InChIKey is DEEFQKRMBWXPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-9-3-4-10(11(15)5-9)13(19)16(7-12(17)18)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid?
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid has a molecular weight of 269.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 43655083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).