(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid

C8H15N3O5S — CID 137348338

IUPAC(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid
SMILESN[C@H](C(=O)O)C1C[C@@H](SC[C@H](N)C(=O)O)NO1
InChIInChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4?,5+,6-/m0/s1
InChIKeyYLODKYYPRFTBNK-CEZCPVKQSA-N
MW265.29 g/mol
LogP-1.84
Rot. Bonds6

About (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid

(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid (PubChem CID 137348338) has the molecular formula C8H15N3O5S and a molecular weight of 265.29 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid
PubChem CID137348338
Molecular FormulaC8H15N3O5S
Molecular Weight265.29 g/mol
Exact Mass265.07
IUPAC Name(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid
SMILESN[C@H](C(=O)O)C1C[C@@H](SC[C@H](N)C(=O)O)NO1
InChIInChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4?,5+,6-/m0/s1
InChIKeyYLODKYYPRFTBNK-CEZCPVKQSA-N
XLogP-1.84
TPSA147.90 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-(3,5-dimethylcyclohexyl)sulfanylpropanoic acid
CID 64736894
2-amino-3-[2-[2-amino-2-(3-hydroxyoxiran-2-yl)ethyl]sulfanylcyclobutyl]sulfanylpropanoic acid
CID 134594490
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoic acid
CID 20720053
(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
CID 816683
(2S)-2-amino-3-(3,4-dimethylcyclohexyl)sulfanylpropanoic acid
CID 107773518
(2R)-2-amino-3-(oxan-2-ylsulfanyl)propanoic acid
CID 131631691
(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 118343597
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid (CID 137348338) is (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid is N[C@H](C(=O)O)C1C[C@@H](SC[C@H](N)C(=O)O)NO1.
What is the InChIKey of (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid?
The InChIKey is YLODKYYPRFTBNK-CEZCPVKQSA-N. The full InChI is InChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4?,5+,6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid?
(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid has a molecular weight of 265.29 g/mol, XLogP of -1.84, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 137348338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).