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

C18H27N3O — CID 96553072

IUPAC(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
SMILESC[C@H](N)C(=O)N(C[C@H]1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C18H27N3O/c1-14(19)18(22)21(16-9-10-16)13-17-8-5-11-20(17)12-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13,19H2,1H3/t14-,17+/m0/s1
InChIKeyQCEPSFNEGREPPM-WMLDXEAASA-N
MW301.43 g/mol
LogP1.99
Rot. Bonds6

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

(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide (PubChem CID 96553072) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
PubChem CID96553072
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
SMILESC[C@H](N)C(=O)N(C[C@H]1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C18H27N3O/c1-14(19)18(22)21(16-9-10-16)13-17-8-5-11-20(17)12-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13,19H2,1H3/t14-,17+/m0/s1
InChIKeyQCEPSFNEGREPPM-WMLDXEAASA-N
XLogP1.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96552797
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
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
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 66565907
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129478609
N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 128968185

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide (CID 96553072) is (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide is C[C@H](N)C(=O)N(C[C@H]1CCCN1Cc1ccccc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide?
The InChIKey is QCEPSFNEGREPPM-WMLDXEAASA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(19)18(22)21(16-9-10-16)13-17-8-5-11-20(17)12-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13,19H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide?
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 1.99, 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-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 96553072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).