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

C7H15NO2 — CID 10125066

IUPAC(2S)-2-amino-3-ethylpentanoic acid
SMILESCCC(CC)[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-5(4-2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyIXLUUORVBOXZGB-LURJTMIESA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds4

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

(2S)-2-amino-3-ethylpentanoic acid (PubChem CID 10125066) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-amino-3-ethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-ethylpentanoic acid
PubChem CID10125066
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-amino-3-ethylpentanoic acid
SMILESCCC(CC)[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-5(4-2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyIXLUUORVBOXZGB-LURJTMIESA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(chloromethyl)pentanoic acid
CID 73155703
2-amino-3,3-dihydroxypropanoic acid;(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid
CID 175339393
2,3-diaminopentanoic acid
CID 22719142
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-ethylpentanoic acid?
The IUPAC name of (2S)-2-amino-3-ethylpentanoic acid (CID 10125066) is (2S)-2-amino-3-ethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-ethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-3-ethylpentanoic acid is CCC(CC)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-ethylpentanoic acid?
The InChIKey is IXLUUORVBOXZGB-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5(4-2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-ethylpentanoic acid?
(2S)-2-amino-3-ethylpentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-ethylpentanoic acid is sourced from PubChem (CID 10125066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).