propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate

C7H15NO3 — CID 93251792

IUPACpropan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
SMILESCC(C)OC(=O)[C@@H](N)[C@H](C)O
InChIInChI=1S/C7H15NO3/c1-4(2)11-7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3/t5-,6-/m0/s1
InChIKeyDAVNUZXTMACPML-WDSKDSINSA-N
MW161.20 g/mol
LogP-0.35
Rot. Bonds3

About propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate

propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate (PubChem CID 93251792) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Namepropan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
PubChem CID93251792
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namepropan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
SMILESCC(C)OC(=O)[C@@H](N)[C@H](C)O
InChIInChI=1S/C7H15NO3/c1-4(2)11-7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3/t5-,6-/m0/s1
InChIKeyDAVNUZXTMACPML-WDSKDSINSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
CID 87892301
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
dipropan-2-yl 2-(3-hydroxybutan-2-yl)propanedioate
CID 113360243
(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
CID 87087959
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate?
The IUPAC name of propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate (CID 93251792) is propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate.
What is the SMILES notation for propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate?
The canonical SMILES for propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate is CC(C)OC(=O)[C@@H](N)[C@H](C)O.
What is the InChIKey of propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate?
The InChIKey is DAVNUZXTMACPML-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(2)11-7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate?
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate has a molecular weight of 161.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate is sourced from PubChem (CID 93251792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).