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

C15H20N2O3 — CID 43655679

IUPAC2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)CC2CC2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-10-3-6-13(11(2)7-10)16-15(20)17(9-14(18)19)8-12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHZDIKRQHXTWTMH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.63
Rot. Bonds5

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

2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid (PubChem CID 43655679) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
PubChem CID43655679
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)CC2CC2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-10-3-6-13(11(2)7-10)16-15(20)17(9-14(18)19)8-12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHZDIKRQHXTWTMH-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 107792005
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014
2-[cyclopropylmethyl-[3-[[4-(2,4-dimethylanilino)-4-oxobutan-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122041844
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 61188375
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid (CID 43655679) is 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid is Cc1ccc(NC(=O)N(CC(=O)O)CC2CC2)c(C)c1.
What is the InChIKey of 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is HZDIKRQHXTWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-3-6-13(11(2)7-10)16-15(20)17(9-14(18)19)8-12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43655679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).