(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid

C15H18N2O2S — CID 122049518

IUPAC(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)c1cnc(N[C@@H](Cc2ccccc2)C(=O)O)s1
InChIInChI=1S/C15H18N2O2S/c1-10(2)13-9-16-15(20-13)17-12(14(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyOAYSPYHENSTUCV-LBPRGKRZSA-N
MW290.39 g/mol
LogP3.37
Rot. Bonds6

About (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid

(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 122049518) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID122049518
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)c1cnc(N[C@@H](Cc2ccccc2)C(=O)O)s1
InChIInChI=1S/C15H18N2O2S/c1-10(2)13-9-16-15(20-13)17-12(14(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyOAYSPYHENSTUCV-LBPRGKRZSA-N
XLogP3.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid with MolForge

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Related Compounds

(2R)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122050622
(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049216
(2S)-2-(1,3-benzothiazol-2-ylamino)-3-phenylpropanoic acid;hydrochloride
CID 86747677
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
tert-butyl N-[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 90832447
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 59765235

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid (CID 122049518) is (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid is CC(C)c1cnc(N[C@@H](Cc2ccccc2)C(=O)O)s1.
What is the InChIKey of (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is OAYSPYHENSTUCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)13-9-16-15(20-13)17-12(14(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 290.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 122049518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).