2-amino-2-ethyl-5-hydroxypent-4-enoic acid

C7H13NO3 — CID 173443210

IUPAC2-amino-2-ethyl-5-hydroxypent-4-enoic acid
SMILESCCC(N)(CC=CO)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-7(8,6(10)11)4-3-5-9/h3,5,9H,2,4,8H2,1H3,(H,10,11)
InChIKeyJNQDHDBPOAKWJT-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.64
Rot. Bonds4

About 2-amino-2-ethyl-5-hydroxypent-4-enoic acid

2-amino-2-ethyl-5-hydroxypent-4-enoic acid (PubChem CID 173443210) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-hydroxypent-4-enoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-hydroxypent-4-enoic acid
PubChem CID173443210
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-amino-2-ethyl-5-hydroxypent-4-enoic acid
SMILESCCC(N)(CC=CO)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-7(8,6(10)11)4-3-5-9/h3,5,9H,2,4,8H2,1H3,(H,10,11)
InChIKeyJNQDHDBPOAKWJT-UHFFFAOYSA-N
XLogP0.64
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
2-amino-2-ethyl-6-(ethylamino)hexanoic acid
CID 123842280
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
(2S)-2-amino-2-methylbutanoic acid
CID 6971276

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-hydroxypent-4-enoic acid?
The IUPAC name of 2-amino-2-ethyl-5-hydroxypent-4-enoic acid (CID 173443210) is 2-amino-2-ethyl-5-hydroxypent-4-enoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-hydroxypent-4-enoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-hydroxypent-4-enoic acid is CCC(N)(CC=CO)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-hydroxypent-4-enoic acid?
The InChIKey is JNQDHDBPOAKWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-7(8,6(10)11)4-3-5-9/h3,5,9H,2,4,8H2,1H3,(H,10,11).
What are the key properties of 2-amino-2-ethyl-5-hydroxypent-4-enoic acid?
2-amino-2-ethyl-5-hydroxypent-4-enoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-hydroxypent-4-enoic acid is sourced from PubChem (CID 173443210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).