4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid

C11H17N3O3S — CID 114127534

IUPAC4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
SMILESCC(CNC(=O)C(N)CCC(=O)O)c1nccs1
InChIInChI=1S/C11H17N3O3S/c1-7(11-13-4-5-18-11)6-14-10(17)8(12)2-3-9(15)16/h4-5,7-8H,2-3,6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyYBRTXPKBWVIFIR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.55
Rot. Bonds7

About 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid

4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid (PubChem CID 114127534) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
PubChem CID114127534
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
SMILESCC(CNC(=O)C(N)CCC(=O)O)c1nccs1
InChIInChI=1S/C11H17N3O3S/c1-7(11-13-4-5-18-11)6-14-10(17)8(12)2-3-9(15)16/h4-5,7-8H,2-3,6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyYBRTXPKBWVIFIR-UHFFFAOYSA-N
XLogP0.55
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
CID 122009852
4-amino-4-(1,3-thiazol-2-yl)butanoic acid
CID 82602307
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 114127126
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid (CID 114127534) is 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid is CC(CNC(=O)C(N)CCC(=O)O)c1nccs1.
What is the InChIKey of 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
The InChIKey is YBRTXPKBWVIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(11-13-4-5-18-11)6-14-10(17)8(12)2-3-9(15)16/h4-5,7-8H,2-3,6,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid?
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid is sourced from PubChem (CID 114127534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).