(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide

C20H23N3O2 — CID 119313132

IUPAC(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(21)19(24)22-17-11-9-16(10-12-17)20(25)23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,18H,5,8,13,21H2,1H3,(H,22,24)/t14-,18?/m0/s1
InChIKeyXBQIXRCUGTZLLQ-PIVQAISJSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide

(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 119313132) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID119313132
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(21)19(24)22-17-11-9-16(10-12-17)20(25)23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,18H,5,8,13,21H2,1H3,(H,22,24)/t14-,18?/m0/s1
InChIKeyXBQIXRCUGTZLLQ-PIVQAISJSA-N
XLogP2.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide (CID 119313132) is (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide is C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is XBQIXRCUGTZLLQ-PIVQAISJSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(21)19(24)22-17-11-9-16(10-12-17)20(25)23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,18H,5,8,13,21H2,1H3,(H,22,24)/t14-,18?/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide?
(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 119313132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).