2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide

C14H21N3O — CID 96553008

IUPAC2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
SMILESNCC(=O)NC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c15-8-14(18)16-9-13-6-7-17(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)/t13-/m1/s1
InChIKeyWNNQTIVNLONIOQ-CYBMUJFWSA-N
MW247.34 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 96553008) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
PubChem CID96553008
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
SMILESNCC(=O)NC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c15-8-14(18)16-9-13-6-7-17(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)/t13-/m1/s1
InChIKeyWNNQTIVNLONIOQ-CYBMUJFWSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide
CID 22115333
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide (CID 96553008) is 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide is NCC(=O)NC[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is WNNQTIVNLONIOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O/c15-8-14(18)16-9-13-6-7-17(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide?
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 96553008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).