(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide

C15H27N3O2 — CID 141443834

IUPAC(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CC[C@H]1C[C@H](N)C[C@@]1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-7-11-8-12(16)9-15(11,17-10(2)19)13(20)18-14(3,4)5/h6,11-12H,1,7-9,16H2,2-5H3,(H,17,19)(H,18,20)/t11-,12-,15-/m0/s1
InChIKeyAPZZEUXZEOYXRF-HUBLWGQQSA-N
MW281.40 g/mol
LogP1.09
Rot. Bonds4

About (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide

(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 141443834) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide
PubChem CID141443834
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CC[C@H]1C[C@H](N)C[C@@]1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-7-11-8-12(16)9-15(11,17-10(2)19)13(20)18-14(3,4)5/h6,11-12H,1,7-9,16H2,2-5H3,(H,17,19)(H,18,20)/t11-,12-,15-/m0/s1
InChIKeyAPZZEUXZEOYXRF-HUBLWGQQSA-N
XLogP1.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide with MolForge

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Related Compounds

(1S,2S,3aS,6aR)-2-acetamido-N-tert-butyl-5-oxo-1-prop-2-enyl-1,3,3a,4,6,6a-hexahydropentalene-2-carboxamide
CID 155933220
(4S,6aR)-5-acetamido-N-tert-butyl-3-methyl-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 158362690
(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
CID 67678251
(1S,2S,3aS,6R,6aR)-2-acetamido-N-tert-butyl-6-fluoro-5,5-dimethoxy-1-prop-2-enyl-1,3,3a,4,6,6a-hexahydropentalene-2-carboxamide
CID 155933217
(2S,3R,5R)-3-acetamido-N-tert-butyl-5-ethenyl-2-methylpiperidine-3-carboxamide;hydrochloride
CID 139529855
[2-[(1S,2R,4R)-2-acetamido-2-(tert-butylcarbamoyl)-4-ethenylcyclohexyl]-3,3-dimethylbutan-2-yl] carbamate
CID 175211060
(1S,5S)-2-(tert-butylcarbamoyl)-2-methyl-3-prop-2-enylbicyclo[3.1.0]hexane-1-carboxylic acid
CID 159932884
(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide
CID 157241533
(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride
CID 139529845
(1S,2S,4S)-1-acetamido-N-tert-butyl-4-(nitromethyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentane-1-carboxamide
CID 131734235
(1R,2S,4S)-4-amino-N-tert-butyl-1-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentane-1-carboxamide
CID 67678247
cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
CID 158423097

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide (CID 141443834) is (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide is C=CC[C@H]1C[C@H](N)C[C@@]1(NC(C)=O)C(=O)NC(C)(C)C.
What is the InChIKey of (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is APZZEUXZEOYXRF-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-7-11-8-12(16)9-15(11,17-10(2)19)13(20)18-14(3,4)5/h6,11-12H,1,7-9,16H2,2-5H3,(H,17,19)(H,18,20)/t11-,12-,15-/m0/s1.
What are the key properties of (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide?
(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 141443834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).