(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide

C24H41N3O — CID 167203975

IUPAC(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide
SMILESC=C/C(=C\C=C(/C)[C@@H](C)NC(=O)[C@@H](N)CCC1CC1)CCCCN1CCCC1
InChIInChI=1S/C24H41N3O/c1-4-21(9-5-6-16-27-17-7-8-18-27)11-10-19(2)20(3)26-24(28)23(25)15-14-22-12-13-22/h4,10-11,20,22-23H,1,5-9,12-18,25H2,2-3H3,(H,26,28)/b19-10+,21-11+/t20-,23+/m1/s1
InChIKeyGIIWRYPGIJBDOK-QXOIJUHISA-N
MW387.61 g/mol
LogP4.33
Rot. Bonds13

About (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide

(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide (PubChem CID 167203975) has the molecular formula C24H41N3O and a molecular weight of 387.61 g/mol. Its IUPAC name is (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide
PubChem CID167203975
Molecular FormulaC24H41N3O
Molecular Weight387.61 g/mol
Exact Mass387.32
IUPAC Name(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide
SMILESC=C/C(=C\C=C(/C)[C@@H](C)NC(=O)[C@@H](N)CCC1CC1)CCCCN1CCCC1
InChIInChI=1S/C24H41N3O/c1-4-21(9-5-6-16-27-17-7-8-18-27)11-10-19(2)20(3)26-24(28)23(25)15-14-22-12-13-22/h4,10-11,20,22-23H,1,5-9,12-18,25H2,2-3H3,(H,26,28)/b19-10+,21-11+/t20-,23+/m1/s1
InChIKeyGIIWRYPGIJBDOK-QXOIJUHISA-N
XLogP4.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide 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-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
CID 119852727
1-[4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 109482772
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine
CID 158606290
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 112735424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide (CID 167203975) is (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide is C=C/C(=C\C=C(/C)[C@@H](C)NC(=O)[C@@H](N)CCC1CC1)CCCCN1CCCC1.
What is the InChIKey of (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide?
The InChIKey is GIIWRYPGIJBDOK-QXOIJUHISA-N. The full InChI is InChI=1S/C24H41N3O/c1-4-21(9-5-6-16-27-17-7-8-18-27)11-10-19(2)20(3)26-24(28)23(25)15-14-22-12-13-22/h4,10-11,20,22-23H,1,5-9,12-18,25H2,2-3H3,(H,26,28)/b19-10+,21-11+/t20-,23+/m1/s1.
What are the key properties of (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide?
(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide has a molecular weight of 387.61 g/mol, XLogP of 4.33, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide is sourced from PubChem (CID 167203975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).