(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide

C17H27N3O — CID 66565271

IUPAC(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
SMILESCCN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)[C@H](C)N
InChIInChI=1S/C17H27N3O/c1-3-19(17(21)14(2)18)13-16-10-7-11-20(16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13,18H2,1-2H3/t14-,16-/m0/s1
InChIKeyBNANVLOATIXYEH-HOCLYGCPSA-N
MW289.42 g/mol
LogP1.85
Rot. Bonds6

About (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide

(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide (PubChem CID 66565271) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
PubChem CID66565271
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
SMILESCCN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)[C@H](C)N
InChIInChI=1S/C17H27N3O/c1-3-19(17(21)14(2)18)13-16-10-7-11-20(16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13,18H2,1-2H3/t14-,16-/m0/s1
InChIKeyBNANVLOATIXYEH-HOCLYGCPSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2-chloro-N-propan-2-ylacetamide
CID 96552886
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide (CID 66565271) is (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide is CCN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide?
The InChIKey is BNANVLOATIXYEH-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19(17(21)14(2)18)13-16-10-7-11-20(16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13,18H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide?
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide is sourced from PubChem (CID 66565271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).