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

C5H12ClNO3 — CID 87786903

IUPAC(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
SMILESCCC(O)[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-2-3(7)4(6)5(8)9;/h3-4,7H,2,6H2,1H3,(H,8,9);1H/t3?,4-;/m0./s1
InChIKeyHISFJUYPCDWBSL-LXNQBTANSA-N
MW169.61 g/mol
LogP-0.41
Rot. Bonds3

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

(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride (PubChem CID 87786903) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
PubChem CID87786903
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
SMILESCCC(O)[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-2-3(7)4(6)5(8)9;/h3-4,7H,2,6H2,1H3,(H,8,9);1H/t3?,4-;/m0./s1
InChIKeyHISFJUYPCDWBSL-LXNQBTANSA-N
XLogP-0.41
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2S)-2-amino-3-hydroxyheptanoic acid
CID 139775906
(2S,3S)-2-amino-3-hydroxy-4-phosphanylbutanoic acid
CID 87416612
(2S)-2-amino-3-ethylpentanoic acid
CID 10125066
2,3-diaminopentanoic acid
CID 22719142
(2S,3R)-2-amino-3-hydroxy-5-oxooctadecanoic acid
CID 174767583
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
CID 130737323
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
CID 116504445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride (CID 87786903) is (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride is CCC(O)[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride?
The InChIKey is HISFJUYPCDWBSL-LXNQBTANSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-2-3(7)4(6)5(8)9;/h3-4,7H,2,6H2,1H3,(H,8,9);1H/t3?,4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-hydroxypentanoic acid;hydrochloride?
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.41, 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;hydrochloride is sourced from PubChem (CID 87786903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).