2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid

C14H17FN2O3 — CID 43656045

IUPAC2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)ccc1NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H17FN2O3/c1-9-6-11(15)4-5-12(9)16-14(20)17(8-13(18)19)7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyBDLKMDHVFIHADD-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.46
Rot. Bonds5

About 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 43656045) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID43656045
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)ccc1NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H17FN2O3/c1-9-6-11(15)4-5-12(9)16-14(20)17(8-13(18)19)7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyBDLKMDHVFIHADD-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 107792005
2-[(2-cyano-3-fluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43656161
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 83074600
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid (CID 43656045) is 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid is Cc1cc(F)ccc1NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is BDLKMDHVFIHADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-6-11(15)4-5-12(9)16-14(20)17(8-13(18)19)7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43656045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).