ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate

C10H18N2O3 — CID 103794893

IUPACethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@H]1CCCN1
InChIInChI=1S/C10H18N2O3/c1-2-15-9(13)5-7-12-10(14)8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyNVSSMRZROWPHBY-MRVPVSSYSA-N
MW214.26 g/mol
LogP-0.19
Rot. Bonds5

About ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate

ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 103794893) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID103794893
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@H]1CCCN1
InChIInChI=1S/C10H18N2O3/c1-2-15-9(13)5-7-12-10(14)8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyNVSSMRZROWPHBY-MRVPVSSYSA-N
XLogP-0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 79389205
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate (CID 103794893) is ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)[C@H]1CCCN1.
What is the InChIKey of ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is NVSSMRZROWPHBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-15-9(13)5-7-12-10(14)8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H,12,14)/t8-/m1/s1.
What are the key properties of ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 103794893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).