3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid

C14H15N3O3S — CID 62884193

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESNc1nc(CC(=O)NCC(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C14H15N3O3S/c15-14-17-10(8-21-14)6-12(18)16-7-11(13(19)20)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyIYROUUGUOMZQJW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.25
Rot. Bonds6

About 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 62884193) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID62884193
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESNc1nc(CC(=O)NCC(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C14H15N3O3S/c15-14-17-10(8-21-14)6-12(18)16-7-11(13(19)20)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyIYROUUGUOMZQJW-UHFFFAOYSA-N
XLogP1.25
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63183740
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(1R)-1-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 174516938
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
CID 62798402
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
CID 2425714
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid (CID 62884193) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid is Nc1nc(CC(=O)NCC(C(=O)O)c2ccccc2)cs1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is IYROUUGUOMZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-14-17-10(8-21-14)6-12(18)16-7-11(13(19)20)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 305.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62884193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).