(2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine

C17H26N2O3 — CID 10892137

IUPAC(2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@@H](CC1OCCO1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-20-13-15-8-5-9-19(15)18-16(12-17-21-10-11-22-17)14-6-3-2-4-7-14/h2-4,6-7,15-18H,5,8-13H2,1H3/t15-,16-/m0/s1
InChIKeyXARKGXQBVHAQHN-HOTGVXAUSA-N
MW306.41 g/mol
LogP2.11
Rot. Bonds7

About (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine

(2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 10892137) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID10892137
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@@H](CC1OCCO1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-20-13-15-8-5-9-19(15)18-16(12-17-21-10-11-22-17)14-6-3-2-4-7-14/h2-4,6-7,15-18H,5,8-13H2,1H3/t15-,16-/m0/s1
InChIKeyXARKGXQBVHAQHN-HOTGVXAUSA-N
XLogP2.11
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine (CID 10892137) is (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine is COC[C@@H]1CCCN1N[C@@H](CC1OCCO1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is XARKGXQBVHAQHN-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-20-13-15-8-5-9-19(15)18-16(12-17-21-10-11-22-17)14-6-3-2-4-7-14/h2-4,6-7,15-18H,5,8-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine?
(2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 306.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-(1,3-dioxolan-2-yl)-1-phenylethyl]-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 10892137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).