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

C13H21N3O3S — CID 103927766

IUPAC(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCCc1nc(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)sc1C
InChIInChI=1S/C13H21N3O3S/c1-6-8-7(2)20-12(14-8)16-11(19)15-9(10(17)18)13(3,4)5/h9H,6H2,1-5H3,(H,17,18)(H2,14,15,16,19)/t9-/m0/s1
InChIKeyMQHPHZDGLDVUCR-VIFPVBQESA-N
MW299.40 g/mol
LogP2.63
Rot. Bonds4

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

(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103927766) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID103927766
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCCc1nc(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)sc1C
InChIInChI=1S/C13H21N3O3S/c1-6-8-7(2)20-12(14-8)16-11(19)15-9(10(17)18)13(3,4)5/h9H,6H2,1-5H3,(H,17,18)(H2,14,15,16,19)/t9-/m0/s1
InChIKeyMQHPHZDGLDVUCR-VIFPVBQESA-N
XLogP2.63
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 107566477
(2S)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 61475554
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid
CID 115430981
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992577
3,3-dimethyl-2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]butanoic acid
CID 106262263
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
propan-2-yl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 116654722
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119735313
4-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119295908
cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid (CID 103927766) is (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid is CCc1nc(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)sc1C.
What is the InChIKey of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is MQHPHZDGLDVUCR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-6-8-7(2)20-12(14-8)16-11(19)15-9(10(17)18)13(3,4)5/h9H,6H2,1-5H3,(H,17,18)(H2,14,15,16,19)/t9-/m0/s1.
What are the key properties of (2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 299.40 g/mol, XLogP of 2.63, 4 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]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).