(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid

C12H19N3O3S — CID 107566477

IUPAC(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1nc(CC)c(C)s1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-6-9(10(16)17)13-11(18)15-12-14-8(5-2)7(3)19-12/h9H,4-6H2,1-3H3,(H,16,17)(H2,13,14,15,18)/t9-/m1/s1
InChIKeyAKHJDLCWXUKTEO-SECBINFHSA-N
MW285.37 g/mol
LogP2.39
Rot. Bonds6

About (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid

(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid (PubChem CID 107566477) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
PubChem CID107566477
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1nc(CC)c(C)s1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-6-9(10(16)17)13-11(18)15-12-14-8(5-2)7(3)19-12/h9H,4-6H2,1-3H3,(H,16,17)(H2,13,14,15,18)/t9-/m1/s1
InChIKeyAKHJDLCWXUKTEO-SECBINFHSA-N
XLogP2.39
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 61475554
(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927766
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107265677
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 78976406
2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid
CID 115430981
propan-2-yl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 116654722
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107566981
(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
CID 107642531
2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid
CID 65223400
2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
CID 43630457
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 61474639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid (CID 107566477) is (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1nc(CC)c(C)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
The InChIKey is AKHJDLCWXUKTEO-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-6-9(10(16)17)13-11(18)15-12-14-8(5-2)7(3)19-12/h9H,4-6H2,1-3H3,(H,16,17)(H2,13,14,15,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid?
(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).