methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate

C7H15N3O3 — CID 62687002

IUPACmethyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CCN
InChIInChI=1S/C7H15N3O3/c1-10(4-3-8)5-6(11)9-7(12)13-2/h3-5,8H2,1-2H3,(H,9,11,12)
InChIKeyOPZFVMNNSUCRQV-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.24
Rot. Bonds4

About methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate

methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate (PubChem CID 62687002) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate
PubChem CID62687002
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Namemethyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CCN
InChIInChI=1S/C7H15N3O3/c1-10(4-3-8)5-6(11)9-7(12)13-2/h3-5,8H2,1-2H3,(H,9,11,12)
InChIKeyOPZFVMNNSUCRQV-UHFFFAOYSA-N
XLogP-1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate (CID 62687002) is methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CCN.
What is the InChIKey of methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate?
The InChIKey is OPZFVMNNSUCRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-10(4-3-8)5-6(11)9-7(12)13-2/h3-5,8H2,1-2H3,(H,9,11,12).
What are the key properties of methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate?
methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate has a molecular weight of 189.21 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate is sourced from PubChem (CID 62687002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).