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

C10H15N3O3S — CID 107564975

IUPAC(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Cc1csc(N)n1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-2-3-7(9(15)16)13-8(14)4-6-5-17-10(11)12-6/h5,7H,2-4H2,1H3,(H2,11,12)(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyQBBLNRLFFOGGKI-SSDOTTSWSA-N
MW257.31 g/mol
LogP0.64
Rot. Bonds6

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

(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid (PubChem CID 107564975) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
PubChem CID107564975
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Cc1csc(N)n1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-2-3-7(9(15)16)13-8(14)4-6-5-17-10(11)12-6/h5,7H,2-4H2,1H3,(H2,11,12)(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyQBBLNRLFFOGGKI-SSDOTTSWSA-N
XLogP0.64
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
CID 62799107
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894498
(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107822577
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63183740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid (CID 107564975) is (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)Cc1csc(N)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
The InChIKey is QBBLNRLFFOGGKI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-3-7(9(15)16)13-8(14)4-6-5-17-10(11)12-6/h5,7H,2-4H2,1H3,(H2,11,12)(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).