2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid

C15H22N2O3 — CID 62003076

IUPAC2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-5-16(13-8-6-12(4)7-9-13)15(20)17(11(2)3)10-14(18)19/h6-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyOUTJMAASJJYXCG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.74
Rot. Bonds5

About 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 62003076) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID62003076
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-5-16(13-8-6-12(4)7-9-13)15(20)17(11(2)3)10-14(18)19/h6-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyOUTJMAASJJYXCG-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid
CID 113226359
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
CID 61195838
2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
CID 119198808
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-[N-(2-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161641
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid (CID 62003076) is 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid is CCN(C(=O)N(CC(=O)O)C(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is OUTJMAASJJYXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16(13-8-6-12(4)7-9-13)15(20)17(11(2)3)10-14(18)19/h6-9,11H,5,10H2,1-4H3,(H,18,19).
What are the key properties of 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 62003076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).