(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid

C15H24N2O3 — CID 119369450

IUPAC(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c(C)n1C(C)C
InChIInChI=1S/C15H24N2O3/c1-8(2)13(15(19)20)16-14(18)12-7-10(5)17(9(3)4)11(12)6/h7-9,13H,1-6H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyQBFVXIJOFYFBQL-CYBMUJFWSA-N
MW280.37 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119369450) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119369450
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c(C)n1C(C)C
InChIInChI=1S/C15H24N2O3/c1-8(2)13(15(19)20)16-14(18)12-7-10(5)17(9(3)4)11(12)6/h7-9,13H,1-6H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyQBFVXIJOFYFBQL-CYBMUJFWSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119170063
methyl 2-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]-3-methylbutanoate
CID 78861224
(2S)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360329
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 82495978
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoic acid
CID 30117592
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9476103
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
3-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]butanoic acid
CID 119170260

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid (CID 119369450) is (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c(C)n1C(C)C.
What is the InChIKey of (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is QBFVXIJOFYFBQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-8(2)13(15(19)20)16-14(18)12-7-10(5)17(9(3)4)11(12)6/h7-9,13H,1-6H3,(H,16,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).