(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid

C7H15NO3S — CID 165347808

IUPAC(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
SMILESCC(CCO)SC[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-5(2-3-9)12-4-6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyKGZNGKFMCSKEJG-GDVGLLTNSA-N
MW193.27 g/mol
LogP-0.10
Rot. Bonds6

About (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid

(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid (PubChem CID 165347808) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
PubChem CID165347808
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
SMILESCC(CCO)SC[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-5(2-3-9)12-4-6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyKGZNGKFMCSKEJG-GDVGLLTNSA-N
XLogP-0.10
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139088
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
CID 66139313
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine
CID 159887720
2-amino-3-[(3R)-1-hydroxyhexan-3-yl]sulfanylpropanoic acid
CID 91359681
(2S)-2-acetamido-3-[(2S)-4-hydroxybutan-2-yl]sulfanylpropanoic acid
CID 40642498
(2R)-2-acetamido-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 46780019
2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 66139089
(2S)-2-amino-3-(1-amino-2-oxopropyl)sulfanylpropanoic acid
CID 87664921
2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid
CID 139470028
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid (CID 165347808) is (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid is CC(CCO)SC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid?
The InChIKey is KGZNGKFMCSKEJG-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(2-3-9)12-4-6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid?
(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid has a molecular weight of 193.27 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 165347808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).