methyl-[2-(methylamino)ethyl]carbamic acid

C5H12N2O2 — CID 18404227

IUPACmethyl-[2-(methylamino)ethyl]carbamic acid
SMILESCNCCN(C)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-6-3-4-7(2)5(8)9/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyCCNIYEJJNUYMHP-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.18
Rot. Bonds3

About methyl-[2-(methylamino)ethyl]carbamic acid

methyl-[2-(methylamino)ethyl]carbamic acid (PubChem CID 18404227) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl-[2-(methylamino)ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-(methylamino)ethyl]carbamic acid
PubChem CID18404227
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namemethyl-[2-(methylamino)ethyl]carbamic acid
SMILESCNCCN(C)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-6-3-4-7(2)5(8)9/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyCCNIYEJJNUYMHP-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Aminoethyl)carbamic acid
CID 32412
Piperazine-1-carboxylic acid
CID 131766
Carbamic acid, N-[2-[(2-aminoethyl)amino]ethyl]-
CID 118956
methyl N-methyl-N-(2-(methylamino)ethyl)carbamate
CID 58537059
1-Isobutoxycarbonyl-4-methylpiperazine
CID 131765
[(2~{R})-1-azanylpropan-2-yl]carbamic acid
CID 87166072
[(2~{S})-2-azanylpropyl]carbamic acid
CID 87683504
ethylenediamine-N,N'-dicarboxylic acid
CID 13397271
2-(Dimethylamino)ethylcarbamic acid
CID 21652811
Bis(2-aminoethyl)carbamic acid
CID 87605619
ethylenediamine-N,N-dicarboxylic acid
CID 129869661
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(methylamino)ethyl]carbamic acid?
The IUPAC name of methyl-[2-(methylamino)ethyl]carbamic acid (CID 18404227) is methyl-[2-(methylamino)ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-(methylamino)ethyl]carbamic acid?
The canonical SMILES for methyl-[2-(methylamino)ethyl]carbamic acid is CNCCN(C)C(=O)O.
What is the InChIKey of methyl-[2-(methylamino)ethyl]carbamic acid?
The InChIKey is CCNIYEJJNUYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-6-3-4-7(2)5(8)9/h6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of methyl-[2-(methylamino)ethyl]carbamic acid?
methyl-[2-(methylamino)ethyl]carbamic acid has a molecular weight of 132.16 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(methylamino)ethyl]carbamic acid is sourced from PubChem (CID 18404227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).