2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid

C15H22N2O3 — CID 62002506

IUPAC2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
SMILESCc1ccc(N(C)C(=O)N(CC(=O)O)C(C)C)c(C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)17(9-14(18)19)15(20)16(5)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3,(H,18,19)
InChIKeyDQTKTPCSBCBRQJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.65
Rot. Bonds4

About 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid

2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 62002506) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
PubChem CID62002506
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
SMILESCc1ccc(N(C)C(=O)N(CC(=O)O)C(C)C)c(C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)17(9-14(18)19)15(20)16(5)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3,(H,18,19)
InChIKeyDQTKTPCSBCBRQJ-UHFFFAOYSA-N
XLogP2.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
CID 62002129
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
CID 125045140
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 62514429
2-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 50891733
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
CID 62876983

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid (CID 62002506) is 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid is Cc1ccc(N(C)C(=O)N(CC(=O)O)C(C)C)c(C)c1.
What is the InChIKey of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is DQTKTPCSBCBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17(9-14(18)19)15(20)16(5)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3,(H,18,19).
What are the key properties of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid?
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 62002506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).