(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide

C12H23N3O — CID 66565907

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
SMILESC[C@H](N)C(=O)N(CC1CCCN1C)C1CC1
InChIInChI=1S/C12H23N3O/c1-9(13)12(16)15(10-5-6-10)8-11-4-3-7-14(11)2/h9-11H,3-8,13H2,1-2H3/t9-,11?/m0/s1
InChIKeyLTMWWOFMNUWZPW-FTNKSUMCSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds4

About (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide

(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 66565907) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
PubChem CID66565907
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
SMILESC[C@H](N)C(=O)N(CC1CCCN1C)C1CC1
InChIInChI=1S/C12H23N3O/c1-9(13)12(16)15(10-5-6-10)8-11-4-3-7-14(11)2/h9-11H,3-8,13H2,1-2H3/t9-,11?/m0/s1
InChIKeyLTMWWOFMNUWZPW-FTNKSUMCSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226117
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
2-amino-N-cyclopropyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 66565843
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
2-amino-N-cyclopropyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]acetamide
CID 96553400
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 66565785
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide (CID 66565907) is (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide is C[C@H](N)C(=O)N(CC1CCCN1C)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is LTMWWOFMNUWZPW-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(13)12(16)15(10-5-6-10)8-11-4-3-7-14(11)2/h9-11H,3-8,13H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 66565907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).