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

C12H20N2O2S — CID 122049216

IUPAC(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1ncc(C(C)C)s1)C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-7(2)5-9(11(15)16)14-12-13-6-10(17-12)8(3)4/h6-9H,5H2,1-4H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyCQFKLVUTHCPFBN-SECBINFHSA-N
MW256.37 g/mol
LogP3.18
Rot. Bonds6

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

(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 122049216) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID122049216
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1ncc(C(C)C)s1)C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-7(2)5-9(11(15)16)14-12-13-6-10(17-12)8(3)4/h6-9H,5H2,1-4H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyCQFKLVUTHCPFBN-SECBINFHSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122049518
(2S)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122050071
(2S)-4-methyl-2-[(5-nitro-1,3-thiazol-2-yl)amino]pentanoic acid
CID 120964548
(2R)-4-methyl-2-[(5-nitro-1,3-thiazol-2-yl)amino]pentanoic acid
CID 120964183
3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122048185
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049266
3-[methyl-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 122091531

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 122049216) is (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid is CC(C)C[C@@H](Nc1ncc(C(C)C)s1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is CQFKLVUTHCPFBN-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7(2)5-9(11(15)16)14-12-13-6-10(17-12)8(3)4/h6-9H,5H2,1-4H3,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 256.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122049216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).