[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone

C17H23N3O2 — CID 119412358

IUPAC[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
SMILESCC1(C(=O)N2CC[C@@H](N)C2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-17(16(22)19-11-8-14(18)12-19)9-5-10-20(17)15(21)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,18H2,1H3/t14-,17?/m1/s1
InChIKeyQWHLZSVFVHNQHH-XPCCGILXSA-N
MW301.39 g/mol
LogP1.24
Rot. Bonds2

About [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone

[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone (PubChem CID 119412358) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
PubChem CID119412358
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
SMILESCC1(C(=O)N2CC[C@@H](N)C2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-17(16(22)19-11-8-14(18)12-19)9-5-10-20(17)15(21)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,18H2,1H3/t14-,17?/m1/s1
InChIKeyQWHLZSVFVHNQHH-XPCCGILXSA-N
XLogP1.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride
CID 120743449
(3aS,7aS)-2-(1-benzoyl-2-methylpyrrolidine-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628261
N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
CID 166176498
N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
CID 166176501
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119411352
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone (CID 119412358) is [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone is CC1(C(=O)N2CC[C@@H](N)C2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone?
The InChIKey is QWHLZSVFVHNQHH-XPCCGILXSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(16(22)19-11-8-14(18)12-19)9-5-10-20(17)15(21)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,18H2,1H3/t14-,17?/m1/s1.
What are the key properties of [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone?
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone has a molecular weight of 301.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 119412358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).