(2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid

C7H15NO3 — CID 150522411

IUPAC(2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid
SMILESCCC[C@](N)(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-7(8,4-5-9)6(10)11/h9H,2-5,8H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyICCVDWGQDACOCR-ZETCQYMHSA-N
MW161.20 g/mol
LogP-0.05
Rot. Bonds5

About (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid

(2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid (PubChem CID 150522411) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid
PubChem CID150522411
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid
SMILESCCC[C@](N)(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-7(8,4-5-9)6(10)11/h9H,2-5,8H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyICCVDWGQDACOCR-ZETCQYMHSA-N
XLogP-0.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid?
The IUPAC name of (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid (CID 150522411) is (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid is CCC[C@](N)(CCO)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid?
The InChIKey is ICCVDWGQDACOCR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-7(8,4-5-9)6(10)11/h9H,2-5,8H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid?
(2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-hydroxyethyl)pentanoic acid is sourced from PubChem (CID 150522411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).