(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid

C11H16N2O3S — CID 119369704

IUPAC(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
SMILESCc1nc(CCCC(=O)N[C@H](C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-7(11(15)16)12-10(14)5-3-4-9-6-17-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyIDHKRBMBCGJLRP-SSDOTTSWSA-N
MW256.33 g/mol
LogP1.36
Rot. Bonds6

About (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid

(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid (PubChem CID 119369704) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
PubChem CID119369704
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
SMILESCc1nc(CCCC(=O)N[C@H](C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-7(11(15)16)12-10(14)5-3-4-9-6-17-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyIDHKRBMBCGJLRP-SSDOTTSWSA-N
XLogP1.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 119347689
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
4-methoxy-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 120702123
2-(4-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]acetic acid
CID 120530618
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]cyclopropane-1-carboxylic acid
CID 120530435
N-(3-aminobutyl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide;dihydrochloride
CID 119495976
3-(4-methylsulfanylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
CID 120530265
N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 111837676
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 119598146
2-[[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527040
3-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]phenyl]propanoic acid
CID 120528347
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid (CID 119369704) is (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid is Cc1nc(CCCC(=O)N[C@H](C)C(=O)O)cs1.
What is the InChIKey of (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid?
The InChIKey is IDHKRBMBCGJLRP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(11(15)16)12-10(14)5-3-4-9-6-17-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid?
(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 119369704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).