2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid

C14H20N2O3 — CID 43135784

IUPAC2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11-7-5-6-10(3)13(11)15-14(19)16(4)8-12(17)18/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyNVYQKIZLSSOWGM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.67
Rot. Bonds4

About 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid

2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid (PubChem CID 43135784) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
PubChem CID43135784
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11-7-5-6-10(3)13(11)15-14(19)16(4)8-12(17)18/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyNVYQKIZLSSOWGM-UHFFFAOYSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 86987050
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 55696677

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid (CID 43135784) is 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid is Cc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is NVYQKIZLSSOWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)11-7-5-6-10(3)13(11)15-14(19)16(4)8-12(17)18/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43135784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).