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

C17H24N2O3 — CID 86870723

IUPACpropan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)22-16(20)8-10-18-17(21)19-11-9-15(12-19)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)
InChIKeyBYMCELAOPHHZKM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.53
Rot. Bonds5

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

propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate (PubChem CID 86870723) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
PubChem CID86870723
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)22-16(20)8-10-18-17(21)19-11-9-15(12-19)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)
InChIKeyBYMCELAOPHHZKM-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
CID 52539083
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide
CID 66937642
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
CID 134307354
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate (CID 86870723) is propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate is CC(C)OC(=O)CCNC(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate?
The InChIKey is BYMCELAOPHHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)22-16(20)8-10-18-17(21)19-11-9-15(12-19)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21).
What are the key properties of propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate?
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate has a molecular weight of 304.39 g/mol, XLogP of 2.53, 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-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 86870723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).