(Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid

C17H32N2O2 — CID 143361633

IUPAC(Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid
SMILESCCCCC/C=C\C(C)C(N[C@]1(C)CCCN1C)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-5-6-7-8-9-11-14(2)15(16(20)21)18-17(3)12-10-13-19(17)4/h9,11,14-15,18H,5-8,10,12-13H2,1-4H3,(H,20,21)/b11-9-/t14?,15?,17-/m0/s1
InChIKeyWGOCMBPKZRVIOC-RSRGHBHKSA-N
MW296.46 g/mol
LogP3.24
Rot. Bonds9

About (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid

(Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid (PubChem CID 143361633) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid
PubChem CID143361633
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid
SMILESCCCCC/C=C\C(C)C(N[C@]1(C)CCCN1C)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-5-6-7-8-9-11-14(2)15(16(20)21)18-17(3)12-10-13-19(17)4/h9,11,14-15,18H,5-8,10,12-13H2,1-4H3,(H,20,21)/b11-9-/t14?,15?,17-/m0/s1
InChIKeyWGOCMBPKZRVIOC-RSRGHBHKSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid 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

(Z)-3-methyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxymethylamino]dec-4-enoic acid
CID 143056076
N-butyl-N-methylpropanamide;(Z)-2-(hydroxymethylamino)-3-methyldec-4-enoic acid
CID 143352631
(Z)-2,3-dimethylnon-4-enoic acid
CID 87090108
2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718
2-[(Z)-oct-1-enyl]propanedioic acid
CID 156873601
2-[(E)-dodec-1-enyl]propanedioic acid
CID 22107420
(E)-2-ethylnon-3-enoic acid
CID 166071468
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
(Z)-3-methyldec-4-enoic acid
CID 131751127
3-methyldec-4-enoic acid
CID 579940

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid?
The IUPAC name of (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid (CID 143361633) is (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid.
What is the SMILES notation for (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid?
The canonical SMILES for (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid is CCCCC/C=C\C(C)C(N[C@]1(C)CCCN1C)C(=O)O.
What is the InChIKey of (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid?
The InChIKey is WGOCMBPKZRVIOC-RSRGHBHKSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-6-7-8-9-11-14(2)15(16(20)21)18-17(3)12-10-13-19(17)4/h9,11,14-15,18H,5-8,10,12-13H2,1-4H3,(H,20,21)/b11-9-/t14?,15?,17-/m0/s1.
What are the key properties of (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid?
(Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid has a molecular weight of 296.46 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(2S)-1,2-dimethylpyrrolidin-2-yl]amino]-3-methyldec-4-enoic acid is sourced from PubChem (CID 143361633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).