(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid

C5H6N2O2S — CID 22823511

IUPAC(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
SMILESN[C@H](C(=O)O)c1nccs1
InChIInChI=1S/C5H6N2O2S/c6-3(5(8)9)4-7-1-2-10-4/h1-3H,6H2,(H,8,9)/t3-/m0/s1
InChIKeyJBGVPTVXEXCTEG-VKHMYHEASA-N
MW158.18 g/mol
LogP0.23
Rot. Bonds2

About (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid

(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid (PubChem CID 22823511) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
PubChem CID22823511
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
SMILESN[C@H](C(=O)O)c1nccs1
InChIInChI=1S/C5H6N2O2S/c6-3(5(8)9)4-7-1-2-10-4/h1-3H,6H2,(H,8,9)/t3-/m0/s1
InChIKeyJBGVPTVXEXCTEG-VKHMYHEASA-N
XLogP0.23
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82602307
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2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 114129193
1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid
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CID 96733513
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
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CID 63613076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid (CID 22823511) is (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid is N[C@H](C(=O)O)c1nccs1.
What is the InChIKey of (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid?
The InChIKey is JBGVPTVXEXCTEG-VKHMYHEASA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-3(5(8)9)4-7-1-2-10-4/h1-3H,6H2,(H,8,9)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid?
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid has a molecular weight of 158.18 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 22823511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).