(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid

C13H20N2O3S — CID 119363034

IUPAC(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCc1ncc(C(=O)N[C@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-5-11-14-7-10(19-11)12(16)15-9(13(17)18)6-8(2)3/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyPWHIRXGONDHWGK-SECBINFHSA-N
MW284.38 g/mol
LogP2.32
Rot. Bonds7

About (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 119363034) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID119363034
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCc1ncc(C(=O)N[C@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-5-11-14-7-10(19-11)12(16)15-9(13(17)18)6-8(2)3/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyPWHIRXGONDHWGK-SECBINFHSA-N
XLogP2.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
(2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975412
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975741
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 51093442
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410
N-[2-(1-hydroxyethyl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 75498535
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 120614601
4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]pentanoic acid
CID 43238542

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 119363034) is (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is CCCc1ncc(C(=O)N[C@H](CC(C)C)C(=O)O)s1.
What is the InChIKey of (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is PWHIRXGONDHWGK-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-5-11-14-7-10(19-11)12(16)15-9(13(17)18)6-8(2)3/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).