(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide

C11H23N3O — CID 121451409

IUPAC(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide
SMILESC=CCC(C)N[C@@H](CCCNC)C(N)=O
InChIInChI=1S/C11H23N3O/c1-4-6-9(2)14-10(11(12)15)7-5-8-13-3/h4,9-10,13-14H,1,5-8H2,2-3H3,(H2,12,15)/t9?,10-/m0/s1
InChIKeyAFLFEICLNSLHJY-AXDSSHIGSA-N
MW213.32 g/mol
LogP0.39
Rot. Bonds9

About (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide

(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide (PubChem CID 121451409) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide.

Molecular Properties

Compound Name(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide
PubChem CID121451409
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide
SMILESC=CCC(C)N[C@@H](CCCNC)C(N)=O
InChIInChI=1S/C11H23N3O/c1-4-6-9(2)14-10(11(12)15)7-5-8-13-3/h4,9-10,13-14H,1,5-8H2,2-3H3,(H2,12,15)/t9?,10-/m0/s1
InChIKeyAFLFEICLNSLHJY-AXDSSHIGSA-N
XLogP0.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.39
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'}

Analyze (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide?
The IUPAC name of (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide (CID 121451409) is (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide.
What is the SMILES notation for (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide?
The canonical SMILES for (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide is C=CCC(C)N[C@@H](CCCNC)C(N)=O.
What is the InChIKey of (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide?
The InChIKey is AFLFEICLNSLHJY-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-6-9(2)14-10(11(12)15)7-5-8-13-3/h4,9-10,13-14H,1,5-8H2,2-3H3,(H2,12,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide?
(2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide has a molecular weight of 213.32 g/mol, XLogP of 0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(methylamino)-2-(pent-4-en-2-ylamino)pentanamide is sourced from PubChem (CID 121451409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).