3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid

C9H17NO3 — CID 103265637

IUPAC3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid
SMILESC/C=C/CCNCC(O)CC(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-4-5-10-7-8(11)6-9(12)13/h2-3,8,10-11H,4-7H2,1H3,(H,12,13)/b3-2+
InChIKeyWRLBXPRYAPUFNO-NSCUHMNNSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds7

About 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid

3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid (PubChem CID 103265637) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid
PubChem CID103265637
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid
SMILESC/C=C/CCNCC(O)CC(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-4-5-10-7-8(11)6-9(12)13/h2-3,8,10-11H,4-7H2,1H3,(H,12,13)/b3-2+
InChIKeyWRLBXPRYAPUFNO-NSCUHMNNSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 106932526
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231
2-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoic acid
CID 101284237
lithium 3-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoate
CID 101284291
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid
CID 103256446
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077
N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
CID 107529943
3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
3-hydroxy-4-(2-prop-2-ynylsulfanylethylamino)butanoic acid
CID 106429922
calcium bis(3-[2-[[(E)-2-hydroxyhex-4-enyl]amino]ethylamino]propanoate)
CID 101284211

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid (CID 103265637) is 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid is C/C=C/CCNCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid?
The InChIKey is WRLBXPRYAPUFNO-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-5-10-7-8(11)6-9(12)13/h2-3,8,10-11H,4-7H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid?
3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid is sourced from PubChem (CID 103265637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).