methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C11H20N2O3 — CID 134421543

IUPACmethyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESC=C[C@@H](C)NC(=O)[C@H](NC(=O)OC)C(C)C
InChIInChI=1S/C11H20N2O3/c1-6-8(4)12-10(14)9(7(2)3)13-11(15)16-5/h6-9H,1H2,2-5H3,(H,12,14)(H,13,15)/t8-,9-/m1/s1
InChIKeyZOKOCGJZOWQZMW-RKDXNWHRSA-N
MW228.29 g/mol
LogP1.06
Rot. Bonds5

About methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 134421543) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID134421543
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESC=C[C@@H](C)NC(=O)[C@H](NC(=O)OC)C(C)C
InChIInChI=1S/C11H20N2O3/c1-6-8(4)12-10(14)9(7(2)3)13-11(15)16-5/h6-9H,1H2,2-5H3,(H,12,14)(H,13,15)/t8-,9-/m1/s1
InChIKeyZOKOCGJZOWQZMW-RKDXNWHRSA-N
XLogP1.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

prop-2-enyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
CID 141320398
prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 171612901
tert-butyl N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 134920554
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate
CID 10442770
tert-butyl N-[(2S)-1-(but-3-enylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 16116675
methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 21338874
tert-butyl N-[1-(methylamino)-1-oxopent-4-en-2-yl]carbamate
CID 23548897
tert-butyl N-[1-oxo-1-(propan-2-ylamino)pent-4-en-2-yl]carbamate
CID 23548904
methyl N-[(2S)-1-amino-1-oxobutan-2-yl]-N-prop-2-enylcarbamate
CID 25172830
methyl N-[(2S)-3-methyl-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 58185367
methyl N-[(2S)-3-methyl-1-[methyl-[(3S)-2-methylhex-5-en-3-yl]amino]-1-oxobutan-2-yl]carbamate
CID 58185378

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 134421543) is methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is C=C[C@@H](C)NC(=O)[C@H](NC(=O)OC)C(C)C.
What is the InChIKey of methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is ZOKOCGJZOWQZMW-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6-8(4)12-10(14)9(7(2)3)13-11(15)16-5/h6-9H,1H2,2-5H3,(H,12,14)(H,13,15)/t8-,9-/m1/s1.
What are the key properties of methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-[[(2R)-but-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 134421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).