(2S)-2-amino-3-hydroxypentanoic acid

C5H11NO3 — CID 18660836

IUPAC(2S)-2-amino-3-hydroxypentanoic acid
SMILESCCC(O)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3?,4-/m0/s1
InChIKeyLGVJIYCMHMKTPB-BKLSDQPFSA-N
MW133.15 g/mol
LogP-0.83
Rot. Bonds3

About (2S)-2-amino-3-hydroxypentanoic acid

(2S)-2-amino-3-hydroxypentanoic acid (PubChem CID 18660836) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypentanoic acid
PubChem CID18660836
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2S)-2-amino-3-hydroxypentanoic acid
SMILESCCC(O)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3?,4-/m0/s1
InChIKeyLGVJIYCMHMKTPB-BKLSDQPFSA-N
XLogP-0.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypentanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxypentanoic acid (CID 18660836) is (2S)-2-amino-3-hydroxypentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxypentanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxypentanoic acid is CCC(O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypentanoic acid?
The InChIKey is LGVJIYCMHMKTPB-BKLSDQPFSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3?,4-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypentanoic acid?
(2S)-2-amino-3-hydroxypentanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypentanoic acid is sourced from PubChem (CID 18660836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).