2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid

C15H19NO3 — CID 43655080

IUPAC2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)cc(C(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C15H19NO3/c1-10-5-11(2)7-13(6-10)15(19)16(9-14(17)18)8-12-3-4-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyPZHBEEMURQPBOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds5

About 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid

2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid (PubChem CID 43655080) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
PubChem CID43655080
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)cc(C(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C15H19NO3/c1-10-5-11(2)7-13(6-10)15(19)16(9-14(17)18)8-12-3-4-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyPZHBEEMURQPBOP-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
2-[cyclopropylmethyl-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 43655089
2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63850971
2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 43655198
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[[5-(aminomethyl)furan-3-carbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 167972030
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65395912
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655375
2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 79266405

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid (CID 43655080) is 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid is Cc1cc(C)cc(C(=O)N(CC(=O)O)CC2CC2)c1.
What is the InChIKey of 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid?
The InChIKey is PZHBEEMURQPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-11(2)7-13(6-10)15(19)16(9-14(17)18)8-12-3-4-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid?
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid is sourced from PubChem (CID 43655080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).