methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate

C9H18N2O3 — CID 116657710

IUPACmethyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)5-10-8(12)7(3)11-9(13)14-4/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyTWFBBFZMBTYMAD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.50
Rot. Bonds4

About methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate

methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 116657710) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
PubChem CID116657710
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)5-10-8(12)7(3)11-9(13)14-4/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyTWFBBFZMBTYMAD-UHFFFAOYSA-N
XLogP0.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 86589156
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
CID 18600444
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
CID 78966459
tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
CID 130290980
2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 43087775
2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 61463653
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate (CID 116657710) is methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)NCC(C)C.
What is the InChIKey of methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is TWFBBFZMBTYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)5-10-8(12)7(3)11-9(13)14-4/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13).
What are the key properties of methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 116657710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).