propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate

C17H24N2O3 — CID 94044030

IUPACpropan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-13(2)22-16(20)10-11-18-17(21)19-12-6-9-15(19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyPMAVLPSOWHUJGT-OAHLLOKOSA-N
MW304.39 g/mol
LogP2.87
Rot. Bonds5

About propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate

propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate (PubChem CID 94044030) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
PubChem CID94044030
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-13(2)22-16(20)10-11-18-17(21)19-12-6-9-15(19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyPMAVLPSOWHUJGT-OAHLLOKOSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
CID 122019325
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
ethyl 3-[[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]amino]propanoate
CID 93076906
2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
CID 87003187
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate (CID 94044030) is propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate is CC(C)OC(=O)CCNC(=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate?
The InChIKey is PMAVLPSOWHUJGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)22-16(20)10-11-18-17(21)19-12-6-9-15(19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate?
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate has a molecular weight of 304.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 94044030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).