(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide

C10H18N2O — CID 91056472

IUPAC(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide
SMILESCC(C)C=CCNC(=O)[C@@H]1CCN1
InChIInChI=1S/C10H18N2O/c1-8(2)4-3-6-12-10(13)9-5-7-11-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyPCIHGMKBZLFCBA-VIFPVBQESA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds4

About (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide

(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide (PubChem CID 91056472) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide
PubChem CID91056472
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide
SMILESCC(C)C=CCNC(=O)[C@@H]1CCN1
InChIInChI=1S/C10H18N2O/c1-8(2)4-3-6-12-10(13)9-5-7-11-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyPCIHGMKBZLFCBA-VIFPVBQESA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide 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

(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 110244525
(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide
CID 59032696
6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide
CID 91037180
N-[4-amino-1-oxo-1-(propan-2-ylamino)butan-2-yl]-2,5,5-trimethylhex-3-enamide
CID 91324729
(2S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 103951366
N-methyl-2-(pent-3-en-2-ylamino)butanamide
CID 123228180
(E,2S)-3-ethenyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]hex-3-enamide
CID 126731938
N-[(E)-but-2-enyl]azetidine-2-carboxamide
CID 131241287
(E,2S)-6-(carbamoylamino)-2-[[(2S)-2-(ethylamino)-3-methylbutanoyl]amino]-N-methylhex-3-enamide
CID 137511379
N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide
CID 142064814
(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide
CID 142789853
(2S)-2-amino-3-methyl-N-[(2S)-1-[[(1R)-2-methylcyclobut-2-en-1-yl]amino]-1-oxopropan-2-yl]butanamide
CID 148301079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide (CID 91056472) is (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide is CC(C)C=CCNC(=O)[C@@H]1CCN1.
What is the InChIKey of (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide?
The InChIKey is PCIHGMKBZLFCBA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)4-3-6-12-10(13)9-5-7-11-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide?
(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide is sourced from PubChem (CID 91056472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).