benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate

C15H20N2O3 — CID 54157501

IUPACbenzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)[C@@H]1CCNC1)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(20-11-12-4-2-1-3-5-12)7-9-17-15(19)13-6-8-16-10-13/h1-5,13,16H,6-11H2,(H,17,19)/t13-/m1/s1
InChIKeyOMCRFSBPZNTITO-CYBMUJFWSA-N
MW276.34 g/mol
LogP0.85
Rot. Bonds6

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

benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate (PubChem CID 54157501) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
PubChem CID54157501
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)[C@@H]1CCNC1)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(20-11-12-4-2-1-3-5-12)7-9-17-15(19)13-6-8-16-10-13/h1-5,13,16H,6-11H2,(H,17,19)/t13-/m1/s1
InChIKeyOMCRFSBPZNTITO-CYBMUJFWSA-N
XLogP0.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
CID 119731795
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
phenylmethoxycarbonylamino pyrrolidine-3-carboxylate
CID 175425879
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 119750683
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723701
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate?
The IUPAC name of benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate (CID 54157501) is benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate is O=C(CCNC(=O)[C@@H]1CCNC1)OCc1ccccc1.
What is the InChIKey of benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate?
The InChIKey is OMCRFSBPZNTITO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(20-11-12-4-2-1-3-5-12)7-9-17-15(19)13-6-8-16-10-13/h1-5,13,16H,6-11H2,(H,17,19)/t13-/m1/s1.
What are the key properties of benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate?
benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate has a molecular weight of 276.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 54157501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).