3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid

C10H16N2O2S — CID 82310239

IUPAC3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12(5-3-9(13)14)10-11-4-6-15-10/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyKNPMPRZWPXRNQV-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.08
Rot. Bonds6

About 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid

3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 82310239) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID82310239
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12(5-3-9(13)14)10-11-4-6-15-10/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyKNPMPRZWPXRNQV-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
CID 60828365
3-[(4-methylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309727
3-[(4-tert-butylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 95507541
3-[[2-(4-methylphenyl)-2-oxoethyl]-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310408
3-[2-(4-methylphenoxy)ethyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 95508415
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
2-methyl-3-[2-piperidin-1-ylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310458
3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
CID 82319305
3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
CID 82319315
3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol
CID 61146701
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid (CID 82310239) is 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid is CC(C)CN(CCC(=O)O)c1nccs1.
What is the InChIKey of 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is KNPMPRZWPXRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)7-12(5-3-9(13)14)10-11-4-6-15-10/h4,6,8H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid?
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 82310239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).