(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide

C14H25N3O2 — CID 11638048

IUPAC(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide
SMILESC/C(=C\[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)16-14(19)11(4)17-13(18)10(3)8-12-6-5-7-15-12/h8-9,11-12,15H,5-7H2,1-4H3,(H,16,19)(H,17,18)/b10-8+/t11-,12-/m0/s1
InChIKeyPGPJEAWJLOOFIQ-IMNITIESSA-N
MW267.37 g/mol
LogP0.71
Rot. Bonds5

About (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide

(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide (PubChem CID 11638048) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide
PubChem CID11638048
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide
SMILESC/C(=C\[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)16-14(19)11(4)17-13(18)10(3)8-12-6-5-7-15-12/h8-9,11-12,15H,5-7H2,1-4H3,(H,16,19)(H,17,18)/b10-8+/t11-,12-/m0/s1
InChIKeyPGPJEAWJLOOFIQ-IMNITIESSA-N
XLogP0.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide 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)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid
CID 174209426
(2R)-2-(2,2-dibromoethenyl)pyrrolidine
CID 14730329
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 62340143
cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 112738864
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propanamide
CID 99980828
2-methyl-N-(1-piperidin-2-ylethyl)butanamide
CID 43523371
(2S)-4-methylsulfanyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoic acid
CID 145457376
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
(2R)-N-propan-2-ylazetidine-2-carboxamide
CID 128886462

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide (CID 11638048) is (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide is C/C(=C\[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)NC(C)C.
What is the InChIKey of (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide?
The InChIKey is PGPJEAWJLOOFIQ-IMNITIESSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)16-14(19)11(4)17-13(18)10(3)8-12-6-5-7-15-12/h8-9,11-12,15H,5-7H2,1-4H3,(H,16,19)(H,17,18)/b10-8+/t11-,12-/m0/s1.
What are the key properties of (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide?
(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide is sourced from PubChem (CID 11638048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).