2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid

C13H15FN2O3 — CID 61159892

IUPAC2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESNc1ccc(F)cc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H15FN2O3/c14-9-3-4-11(15)10(5-9)13(19)16(7-12(17)18)6-8-1-2-8/h3-5,8H,1-2,6-7,15H2,(H,17,18)
InChIKeyDRLPAVOXGMJAPZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 61159892) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID61159892
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESNc1ccc(F)cc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H15FN2O3/c14-9-3-4-11(15)10(5-9)13(19)16(7-12(17)18)6-8-1-2-8/h3-5,8H,1-2,6-7,15H2,(H,17,18)
InChIKeyDRLPAVOXGMJAPZ-UHFFFAOYSA-N
XLogP1.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
CID 61162239
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
CID 107433914
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid (CID 61159892) is 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid is Nc1ccc(F)cc1C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is DRLPAVOXGMJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-3-4-11(15)10(5-9)13(19)16(7-12(17)18)6-8-1-2-8/h3-5,8H,1-2,6-7,15H2,(H,17,18).
What are the key properties of 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 266.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 61159892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).