methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate

C10H20N4O3 — CID 113402132

IUPACmethyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(CC(=O)NCCN)C1
InChIInChI=1S/C10H20N4O3/c1-17-10(16)13-8-2-5-14(6-8)7-9(15)12-4-3-11/h8H,2-7,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyGWHKYTPNTFEXKM-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.51
Rot. Bonds5

About methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate

methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate (PubChem CID 113402132) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate
PubChem CID113402132
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Namemethyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(CC(=O)NCCN)C1
InChIInChI=1S/C10H20N4O3/c1-17-10(16)13-8-2-5-14(6-8)7-9(15)12-4-3-11/h8H,2-7,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyGWHKYTPNTFEXKM-UHFFFAOYSA-N
XLogP-1.51
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
N-(2-aminoethyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114678035
methyl 4-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 113281991
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
N-(2-aminoethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61207322
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
methyl 4-[[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 55030515
methyl N-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-3-yl]carbamate
CID 113402577
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate (CID 113402132) is methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(CC(=O)NCCN)C1.
What is the InChIKey of methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate?
The InChIKey is GWHKYTPNTFEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-17-10(16)13-8-2-5-14(6-8)7-9(15)12-4-3-11/h8H,2-7,11H2,1H3,(H,12,15)(H,13,16).
What are the key properties of methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate?
methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate has a molecular weight of 244.29 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113402132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).