ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate

C9H16N2O3 — CID 10397890

IUPACethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H16N2O3/c1-2-14-8(12)6-11-9(13)7-4-3-5-10-7/h7,10H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyVCZUDFJMKMAEGR-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds4

About ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate

ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 10397890) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate
PubChem CID10397890
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H16N2O3/c1-2-14-8(12)6-11-9(13)7-4-3-5-10-7/h7,10H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyVCZUDFJMKMAEGR-ZETCQYMHSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Butyl 5-oxo-L-prolinate
CID 107609
N-Hexanoyl-L-Homoserine lactone
CID 10058590
L-prolinylglycine zwitterion
CID 7408076
Butyl 5-oxopyrrolidine-2-carboxylate
CID 4460732
N-(Hydroxy(pyrrolidin-2-yl)methylidene)alanine
CID 418041
N-(2-oxooxolan-3-yl)hexanamide
CID 3462373
L-Prolyl-L-alanine
CID 6347578
Ala-Pro-Gly
CID 11902903
H-Ala-Gly-Pro-Ala-OMe
CID 155536309
H-Ala-Gly-Pro-Ala-Gly-OMe
CID 155536953
1-Boc-2-(2-methoxy-2-oxoethylcarbamoyl)pyrrolidine
CID 292449
H-Ala-pro-ala-OH
CID 9816556

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate (CID 10397890) is ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is VCZUDFJMKMAEGR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-8(12)6-11-9(13)7-4-3-5-10-7/h7,10H,2-6H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 10397890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).