(2S)-2-amino-2-ethyl-4-methylpentanoic acid

C8H17NO2 — CID 45122151

IUPAC(2S)-2-amino-2-ethyl-4-methylpentanoic acid
SMILESCC[C@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-8(9,7(10)11)5-6(2)3/h6H,4-5,9H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyNAPVREXSZJHFMM-QMMMGPOBSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds4

About (2S)-2-amino-2-ethyl-4-methylpentanoic acid

(2S)-2-amino-2-ethyl-4-methylpentanoic acid (PubChem CID 45122151) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-amino-2-ethyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-ethyl-4-methylpentanoic acid
PubChem CID45122151
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-amino-2-ethyl-4-methylpentanoic acid
SMILESCC[C@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-8(9,7(10)11)5-6(2)3/h6H,4-5,9H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyNAPVREXSZJHFMM-QMMMGPOBSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
4-amino-4-ethyl-2,2,6-trimethylheptan-3-one
CID 167343881
2-amino-6-borono-2-(2-methylpropyl)hexanoic acid;hydrochloride
CID 87173180
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
5-amino-5-ethyl-2-methylheptan-4-one
CID 116592612
sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
CID 172557407
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
2-amino-2-ethyl-5-[methyl(2-methylpropyl)amino]pentanoic acid
CID 106805714
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-ethyl-4-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-2-ethyl-4-methylpentanoic acid (CID 45122151) is (2S)-2-amino-2-ethyl-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-2-ethyl-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-2-ethyl-4-methylpentanoic acid is CC[C@](N)(CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-ethyl-4-methylpentanoic acid?
The InChIKey is NAPVREXSZJHFMM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(9,7(10)11)5-6(2)3/h6H,4-5,9H2,1-3H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-ethyl-4-methylpentanoic acid?
(2S)-2-amino-2-ethyl-4-methylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-ethyl-4-methylpentanoic acid is sourced from PubChem (CID 45122151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).