3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane

C14H26N3O2P — CID 174568051

IUPAC3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane
SMILESC=CC(CCCCC)NC(Cc1cnc[nH]1)C(=O)O.P
InChIInChI=1S/C14H23N3O2.H3P/c1-3-5-6-7-11(4-2)17-13(14(18)19)8-12-9-15-10-16-12;/h4,9-11,13,17H,2-3,5-8H2,1H3,(H,15,16)(H,18,19);1H3
InChIKeyOSYYZTABKGTDEZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.19
Rot. Bonds10

About 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane

3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane (PubChem CID 174568051) has the molecular formula C14H26N3O2P and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane
PubChem CID174568051
Molecular FormulaC14H26N3O2P
Molecular Weight299.36 g/mol
Exact Mass299.18
IUPAC Name3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane
SMILESC=CC(CCCCC)NC(Cc1cnc[nH]1)C(=O)O.P
InChIInChI=1S/C14H23N3O2.H3P/c1-3-5-6-7-11(4-2)17-13(14(18)19)8-12-9-15-10-16-12;/h4,9-11,13,17H,2-3,5-8H2,1H3,(H,15,16)(H,18,19);1H3
InChIKeyOSYYZTABKGTDEZ-UHFFFAOYSA-N
XLogP2.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.19
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]octanoic acid
CID 59101024
(2S)-3-(1H-imidazol-5-yl)-2-(pentadecanoylamino)propanoic acid
CID 130237897
(2S)-3-(1H-imidazol-5-yl)-2-(pentacosanoylamino)propanoic acid
CID 171116857
sodium;hydride;(2S)-3-(1H-imidazol-5-yl)-2-(tetradecanoylamino)propanoic acid
CID 174767613
(2S)-3-(1H-imidazol-5-yl)-2-[[2-[[2-(octadecanoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 175700106
(2S)-3-(1H-imidazol-5-yl)-2-[[2-[[2-[[2-(tetradecanoylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 175723616
(2R)-3-(1H-imidazol-5-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid
CID 135239989
(2S)-2-[[(Z)-icos-11-enoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 171116846
3-(1H-imidazol-5-yl)-2-[[(E)-tetracos-15-enoyl]amino]propanoic acid
CID 156963109
(2S)-2-[[2-(dioctylamino)-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 90347165
(2S)-3-(1H-imidazol-5-yl)-2-[[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198534
(2S)-2-[[(2S)-2-(dodecanoylamino)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 175700107

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane (CID 174568051) is 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane is C=CC(CCCCC)NC(Cc1cnc[nH]1)C(=O)O.P.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane?
The InChIKey is OSYYZTABKGTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.H3P/c1-3-5-6-7-11(4-2)17-13(14(18)19)8-12-9-15-10-16-12;/h4,9-11,13,17H,2-3,5-8H2,1H3,(H,15,16)(H,18,19);1H3.
What are the key properties of 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane?
3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane has a molecular weight of 299.36 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-(oct-1-en-3-ylamino)propanoic acid;phosphane is sourced from PubChem (CID 174568051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).