3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid

C7H13NO3 — CID 140735978

IUPAC3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid
SMILESO=C(O)CCN/C=C/CCO
InChIInChI=1S/C7H13NO3/c9-6-2-1-4-8-5-3-7(10)11/h1,4,8-9H,2-3,5-6H2,(H,10,11)/b4-1+
InChIKeyPNVZMMYAEOTGHU-DAFODLJHSA-N
MW159.19 g/mol
LogP-0.05
Rot. Bonds6

About 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid

3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid (PubChem CID 140735978) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid
PubChem CID140735978
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid
SMILESO=C(O)CCN/C=C/CCO
InChIInChI=1S/C7H13NO3/c9-6-2-1-4-8-5-3-7(10)11/h1,4,8-9H,2-3,5-6H2,(H,10,11)/b4-1+
InChIKeyPNVZMMYAEOTGHU-DAFODLJHSA-N
XLogP-0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxyoct-5-enoic acid
CID 86081855
5-(ethylamino)pent-4-enoic acid;hydrochloride
CID 173253015
4-hydroxybut-1-enylurea
CID 154208332
(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid
CID 91873595
3-(fluoroamino)propanoic acid
CID 22665129
(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
CID 87227113
CID 172719967
CID 172719967
3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
methyl 3-(oct-1-enylamino)propanoate
CID 168911743
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
hex-3-en-1-ol;propanoic acid
CID 71381024

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid?
The IUPAC name of 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid (CID 140735978) is 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid?
The canonical SMILES for 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid is O=C(O)CCN/C=C/CCO.
What is the InChIKey of 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid?
The InChIKey is PNVZMMYAEOTGHU-DAFODLJHSA-N. The full InChI is InChI=1S/C7H13NO3/c9-6-2-1-4-8-5-3-7(10)11/h1,4,8-9H,2-3,5-6H2,(H,10,11)/b4-1+.
What are the key properties of 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid?
3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid has a molecular weight of 159.19 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid is sourced from PubChem (CID 140735978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).