2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid

C14H16F2N2O3 — CID 103586717

IUPAC2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)c(NC(=O)N(CC(=O)O)CC2CC2)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-8-4-11(16)12(5-10(8)15)17-14(21)18(7-13(19)20)6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyWMFNUCOJCIRFGY-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.60
Rot. Bonds5

About 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 103586717) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID103586717
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(F)c(NC(=O)N(CC(=O)O)CC2CC2)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-8-4-11(16)12(5-10(8)15)17-14(21)18(7-13(19)20)6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyWMFNUCOJCIRFGY-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
CID 62809193
2-[(2-cyano-3-fluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43656161
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 83074600
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 107792005
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055
2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103584586

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid (CID 103586717) is 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid is Cc1cc(F)c(NC(=O)N(CC(=O)O)CC2CC2)cc1F.
What is the InChIKey of 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is WMFNUCOJCIRFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-8-4-11(16)12(5-10(8)15)17-14(21)18(7-13(19)20)6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 298.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 103586717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).