2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid

C15H28N2O3 — CID 61190950

IUPAC2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C15H28N2O3/c1-5-11(3)17(9-14(18)19)15(20)16-13-8-6-7-10(2)12(13)4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVQOROWIOHJDFKZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds5

About 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 61190950) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
PubChem CID61190950
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C15H28N2O3/c1-5-11(3)17(9-14(18)19)15(20)16-13-8-6-7-10(2)12(13)4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVQOROWIOHJDFKZ-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 107437733
2-[(2,3-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272617
3-[(2-methylcyclohexyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61190174
2-[carboxymethyl-[(2-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 63644996
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549103
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid (CID 61190950) is 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC1CCCC(C)C1C.
What is the InChIKey of 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is VQOROWIOHJDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(3)17(9-14(18)19)15(20)16-13-8-6-7-10(2)12(13)4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61190950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).