methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate

C7H15N3O3 — CID 59975039

IUPACmethyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNCC(NC(=O)OC)C(=O)NC
InChIInChI=1S/C7H15N3O3/c1-8-4-5(6(11)9-2)10-7(12)13-3/h5,8H,4H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyRDGMVMDAFYRIOQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.32
Rot. Bonds4

About methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate

methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 59975039) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate
PubChem CID59975039
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Namemethyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNCC(NC(=O)OC)C(=O)NC
InChIInChI=1S/C7H15N3O3/c1-8-4-5(6(11)9-2)10-7(12)13-3/h5,8H,4H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyRDGMVMDAFYRIOQ-UHFFFAOYSA-N
XLogP-1.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate
CID 58669432
(2S)-2-(methoxycarbonylamino)pentanedioic acid;(2S)-2-(methylcarbamoylamino)pentanedioic acid
CID 161104290
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
CID 87125447
(2S)-5-methyl-6-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 157241573
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197
3-amino-N-methyl-2-(methylamino)propanamide;2,3-bis(methylamino)propanoic acid;N-methyl-2,3-bis(methylamino)propanamide
CID 162000379
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
methyl N-(4-bromo-1-methoxy-3-oxobutan-2-yl)carbamate
CID 104701695
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803241

Frequently Asked Questions

What is the IUPAC name of methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate (CID 59975039) is methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate is CNCC(NC(=O)OC)C(=O)NC.
What is the InChIKey of methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is RDGMVMDAFYRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-8-4-5(6(11)9-2)10-7(12)13-3/h5,8H,4H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate?
methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 189.21 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 59975039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).