3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid

C14H19N3O3 — CID 107324285

IUPAC3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)Nc1ccccc1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-10(12(18)16-11-5-3-2-4-6-11)17-8-7-14(15,9-17)13(19)20/h2-6,10H,7-9,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyJAYHVORQCUNQCL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.50
Rot. Bonds4

About 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107324285) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107324285
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)Nc1ccccc1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-10(12(18)16-11-5-3-2-4-6-11)17-8-7-14(15,9-17)13(19)20/h2-6,10H,7-9,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyJAYHVORQCUNQCL-UHFFFAOYSA-N
XLogP0.50
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324418
3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324286
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
3-amino-1-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321305
(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide
CID 97124481
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324760
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
CID 103576816
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid (CID 107324285) is 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid is CC(C(=O)Nc1ccccc1)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JAYHVORQCUNQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(12(18)16-11-5-3-2-4-6-11)17-8-7-14(15,9-17)13(19)20/h2-6,10H,7-9,15H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).