3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

C15H20ClN3O2 — CID 154586680

IUPAC3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)C1CNCC1C(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H19N3O2.ClH/c16-14(19)11-7-17-8-12(11)15(20)18-13-6-10(13)9-4-2-1-3-5-9;/h1-5,10-13,17H,6-8H2,(H2,16,19)(H,18,20);1H/t10-,11?,12?,13+;/m0./s1
InChIKeyKNRQAXMNFSZHAI-RVSMYKNHSA-N
MW309.80 g/mol
LogP0.40
Rot. Bonds4

About 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 154586680) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID154586680
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)C1CNCC1C(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H19N3O2.ClH/c16-14(19)11-7-17-8-12(11)15(20)18-13-6-10(13)9-4-2-1-3-5-9;/h1-5,10-13,17H,6-8H2,(H2,16,19)(H,18,20);1H/t10-,11?,12?,13+;/m0./s1
InChIKeyKNRQAXMNFSZHAI-RVSMYKNHSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
(3R,4S)-N-[3-(4-fluorophenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 159638124
(3S,4S)-1-[2-[3-[2-[(3S,4S)-3,4-bis[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 154586669
2-phenylcyclobutane-1-carboxamide
CID 132565333
2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 166790541
(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
CID 156839533
(3S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[4-[(3S,4S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]-4-[[(2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]phenyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154971108
[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (CID 154586680) is 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is Cl.NC(=O)C1CNCC1C(=O)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is KNRQAXMNFSZHAI-RVSMYKNHSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c16-14(19)11-7-17-8-12(11)15(20)18-13-6-10(13)9-4-2-1-3-5-9;/h1-5,10-13,17H,6-8H2,(H2,16,19)(H,18,20);1H/t10-,11?,12?,13+;/m0./s1.
What are the key properties of 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 154586680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).