ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate

C11H21N3O3 — CID 60656231

IUPACethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCN1CCCC1
InChIInChI=1S/C11H21N3O3/c1-2-17-10(15)9-13-11(16)12-5-8-14-6-3-4-7-14/h2-9H2,1H3,(H2,12,13,16)
InChIKeyBHLPNYVDRSHWLF-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.06
Rot. Bonds6

About ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate

ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate (PubChem CID 60656231) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
PubChem CID60656231
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCN1CCCC1
InChIInChI=1S/C11H21N3O3/c1-2-17-10(15)9-13-11(16)12-5-8-14-6-3-4-7-14/h2-9H2,1H3,(H2,12,13,16)
InChIKeyBHLPNYVDRSHWLF-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-piperidin-1-ylethylcarbamoylamino)acetate
CID 60970318
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
CID 53470248
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylcarbamoylamino)butanoic acid
CID 67154377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate (CID 60656231) is ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCCN1CCCC1.
What is the InChIKey of ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate?
The InChIKey is BHLPNYVDRSHWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-17-10(15)9-13-11(16)12-5-8-14-6-3-4-7-14/h2-9H2,1H3,(H2,12,13,16).
What are the key properties of ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate?
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate has a molecular weight of 243.31 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate is sourced from PubChem (CID 60656231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).