2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid

C16H22N2O3 — CID 62711201

IUPAC2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
SMILESCc1cccc(C(C)C)c1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-9(2)12-6-4-5-10(3)13(12)17-16(21)18-14(15(19)20)11-7-8-11/h4-6,9,11,14H,7-8H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyPGKMLACQYDHOJK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds5

About 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid

2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid (PubChem CID 62711201) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
PubChem CID62711201
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
SMILESCc1cccc(C(C)C)c1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-9(2)12-6-4-5-10(3)13(12)17-16(21)18-14(15(19)20)11-7-8-11/h4-6,9,11,14H,7-8H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyPGKMLACQYDHOJK-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
(2S)-4-hydroxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 107825731
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
CID 61197742
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid (CID 62711201) is 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid is Cc1cccc(C(C)C)c1NC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid?
The InChIKey is PGKMLACQYDHOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(2)12-6-4-5-10(3)13(12)17-16(21)18-14(15(19)20)11-7-8-11/h4-6,9,11,14H,7-8H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid?
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 62711201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).