(E,2S)-2-amino-2-ethylpent-3-enoic acid

C7H13NO2 — CID 55284732

IUPAC(E,2S)-2-amino-2-ethylpent-3-enoic acid
SMILESC/C=C/[C@@](N)(CC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5-7(8,4-2)6(9)10/h3,5H,4,8H2,1-2H3,(H,9,10)/b5-3+/t7-/m0/s1
InChIKeyDFLGUCKHKKCGBZ-MZTFZBDOSA-N
MW143.19 g/mol
LogP0.75
Rot. Bonds3

About (E,2S)-2-amino-2-ethylpent-3-enoic acid

(E,2S)-2-amino-2-ethylpent-3-enoic acid (PubChem CID 55284732) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E,2S)-2-amino-2-ethylpent-3-enoic acid.

Molecular Properties

Compound Name(E,2S)-2-amino-2-ethylpent-3-enoic acid
PubChem CID55284732
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E,2S)-2-amino-2-ethylpent-3-enoic acid
SMILESC/C=C/[C@@](N)(CC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5-7(8,4-2)6(9)10/h3,5H,4,8H2,1-2H3,(H,9,10)/b5-3+/t7-/m0/s1
InChIKeyDFLGUCKHKKCGBZ-MZTFZBDOSA-N
XLogP0.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methylpent-3-enoic acid
CID 85212787
3-ethylhex-4-en-3-amine
CID 174912899
(Z)-hex-4-ene-3,3-diamine
CID 90219122
2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid
CID 146451111
(E)-2,2-dimethylpent-3-enoic acid
CID 5367768
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
CID 10511127
2-amino-2-(sulfanylmethyl)but-3-enoic acid
CID 175037122
2-amino-2-sulfanylbutanoic acid
CID 18369133
2-amino-2-iodobutanoic acid
CID 19595827

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-amino-2-ethylpent-3-enoic acid?
The IUPAC name of (E,2S)-2-amino-2-ethylpent-3-enoic acid (CID 55284732) is (E,2S)-2-amino-2-ethylpent-3-enoic acid.
What is the SMILES notation for (E,2S)-2-amino-2-ethylpent-3-enoic acid?
The canonical SMILES for (E,2S)-2-amino-2-ethylpent-3-enoic acid is C/C=C/[C@@](N)(CC)C(=O)O.
What is the InChIKey of (E,2S)-2-amino-2-ethylpent-3-enoic acid?
The InChIKey is DFLGUCKHKKCGBZ-MZTFZBDOSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-7(8,4-2)6(9)10/h3,5H,4,8H2,1-2H3,(H,9,10)/b5-3+/t7-/m0/s1.
What are the key properties of (E,2S)-2-amino-2-ethylpent-3-enoic acid?
(E,2S)-2-amino-2-ethylpent-3-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-amino-2-ethylpent-3-enoic acid is sourced from PubChem (CID 55284732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).