(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid

C7H9NO3S — CID 6994519

IUPAC(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
SMILESN[C@H](C(=O)O)[C@H](O)c1cccs1
InChIInChI=1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6+/m0/s1
InChIKeyGNUCLSFLDHLOBV-NTSWFWBYSA-N
MW187.22 g/mol
LogP0.19
Rot. Bonds3

About (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid

(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid (PubChem CID 6994519) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
PubChem CID6994519
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
SMILESN[C@H](C(=O)O)[C@H](O)c1cccs1
InChIInChI=1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6+/m0/s1
InChIKeyGNUCLSFLDHLOBV-NTSWFWBYSA-N
XLogP0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-thiophen-2-ylbutanedioic acid
CID 146264588
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
(2S)-2-amino-3-thiophen-2-ylpentanedioic acid
CID 139509804
2-amino-3-thiophen-2-ylpentanedioic acid
CID 174368637
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
2-(diaminomethylideneamino)-2-thiophen-2-ylacetic acid
CID 138683337
(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
CID 139509790
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
3-hydroxy-2-(4-phenylphenyl)-3-thiophen-2-ylpropanoic acid
CID 50878491
4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
CID 156789999
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid (CID 6994519) is (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid is N[C@H](C(=O)O)[C@H](O)c1cccs1.
What is the InChIKey of (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid?
The InChIKey is GNUCLSFLDHLOBV-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid?
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid has a molecular weight of 187.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 6994519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).