ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate

C10H19N3O3 — CID 112707932

IUPACethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCC(N)C1
InChIInChI=1S/C10H19N3O3/c1-2-16-10(15)5-12-9(14)7-13-4-3-8(11)6-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyGDKPYEZNOXWFFW-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.30
Rot. Bonds5

About ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate

ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate (PubChem CID 112707932) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
PubChem CID112707932
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCC(N)C1
InChIInChI=1S/C10H19N3O3/c1-2-16-10(15)5-12-9(14)7-13-4-3-8(11)6-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyGDKPYEZNOXWFFW-UHFFFAOYSA-N
XLogP-1.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-[4,7-bis(carboxymethyl)-10-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118499456
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 79327517
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate (CID 112707932) is ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1CCC(N)C1.
What is the InChIKey of ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate?
The InChIKey is GDKPYEZNOXWFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-16-10(15)5-12-9(14)7-13-4-3-8(11)6-13/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate?
ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate has a molecular weight of 229.28 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 112707932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).