(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 107218042

IUPAC(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C13H24N2O2/c14-12-7-3-1-2-6-11(12)13(17)15-8-4-5-10(15)9-16/h10-12,16H,1-9,14H2/t10-,11?,12?/m0/s1
InChIKeyPMHBCXOANRXYNK-UNXYVOJBSA-N
MW240.35 g/mol
LogP0.88
Rot. Bonds2

About (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 107218042) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID107218042
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C13H24N2O2/c14-12-7-3-1-2-6-11(12)13(17)15-8-4-5-10(15)9-16/h10-12,16H,1-9,14H2/t10-,11?,12?/m0/s1
InChIKeyPMHBCXOANRXYNK-UNXYVOJBSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 64824655
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 107214343
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 107218042) is (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is NC1CCCCCC1C(=O)N1CCC[C@H]1CO.
What is the InChIKey of (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PMHBCXOANRXYNK-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-12-7-3-1-2-6-11(12)13(17)15-8-4-5-10(15)9-16/h10-12,16H,1-9,14H2/t10-,11?,12?/m0/s1.
What are the key properties of (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107218042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).