3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid

C9H17NO3 — CID 103265692

IUPAC3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
SMILESC=CCC(C)NCC(O)CC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-7(2)10-6-8(11)5-9(12)13/h3,7-8,10-11H,1,4-6H2,2H3,(H,12,13)
InChIKeyICESJQNDOCKDSY-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds7

About 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid

3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid (PubChem CID 103265692) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
PubChem CID103265692
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
SMILESC=CCC(C)NCC(O)CC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-7(2)10-6-8(11)5-9(12)13/h3,7-8,10-11H,1,4-6H2,2H3,(H,12,13)
InChIKeyICESJQNDOCKDSY-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
pent-4-en-2-ylcarbamic acid
CID 146626901
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
3-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119347682
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695
(2S,3R)-3-hydroxy-2-(pent-4-en-2-ylcarbamoylamino)butanoic acid
CID 104966582
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid
CID 103265682
propanoic acid;1-N-[1-(prop-2-enylamino)propan-2-yl]propane-1,2-diamine
CID 88654756

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid?
The IUPAC name of 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid (CID 103265692) is 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid is C=CCC(C)NCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid?
The InChIKey is ICESJQNDOCKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-7(2)10-6-8(11)5-9(12)13/h3,7-8,10-11H,1,4-6H2,2H3,(H,12,13).
What are the key properties of 3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid?
3-hydroxy-4-(pent-4-en-2-ylamino)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-(pent-4-en-2-ylamino)butanoic acid is sourced from PubChem (CID 103265692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).