(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid

C6H7ClN2O2S — CID 107124440

IUPAC(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ncc(Cl)s1
InChIInChI=1S/C6H7ClN2O2S/c7-4-2-9-6(12-4)3(8)1-5(10)11/h2-3H,1,8H2,(H,10,11)/t3-/m1/s1
InChIKeyKMXMYFJSEFCQNU-GSVOUGTGSA-N
MW206.65 g/mol
LogP1.27
Rot. Bonds3

About (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid

(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid (PubChem CID 107124440) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
PubChem CID107124440
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ncc(Cl)s1
InChIInChI=1S/C6H7ClN2O2S/c7-4-2-9-6(12-4)3(8)1-5(10)11/h2-3H,1,8H2,(H,10,11)/t3-/m1/s1
InChIKeyKMXMYFJSEFCQNU-GSVOUGTGSA-N
XLogP1.27
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 70397200
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid dihydrochloride
CID 137964139
(5-Chloro-thiazol-2-YL)acetic acid
CID 66224112
2-(5-Chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 107124372
3-(5-Chloro-1,3-thiazol-2-yl)-2-fluoropropanoic acid
CID 130927768
3-(5-Chloro-1,3-thiazol-2-yl)propanoic acid
CID 83620108
2-Amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
3-(Ethylamino)-3-(1,3-thiazol-2-yl)propanoic acid
CID 146242309
3-(Methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
CID 146242621
N-[(5-Chloro-2-thiazolyl)methyl]-I(2)-alanine
CID 45785688
3-Amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82602304
(3R)-3-amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 92446957

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid (CID 107124440) is (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid is N[C@H](CC(=O)O)c1ncc(Cl)s1.
What is the InChIKey of (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is KMXMYFJSEFCQNU-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-4-2-9-6(12-4)3(8)1-5(10)11/h2-3H,1,8H2,(H,10,11)/t3-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid?
(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 206.65 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 107124440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).