N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide

C15H27N3O2 — CID 66567716

IUPACN-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CC1CCN(C(=O)[C@@H](N)C(C)C)C1)C1CC1
InChIInChI=1S/C15H27N3O2/c1-10(2)14(16)15(20)17-7-6-12(8-17)9-18(11(3)19)13-4-5-13/h10,12-14H,4-9,16H2,1-3H3/t12?,14-/m0/s1
InChIKeyJAFCROZBVJYPTL-PYMCNQPYSA-N
MW281.40 g/mol
LogP0.83
Rot. Bonds5

About N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide

N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide (PubChem CID 66567716) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
PubChem CID66567716
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CC1CCN(C(=O)[C@@H](N)C(C)C)C1)C1CC1
InChIInChI=1S/C15H27N3O2/c1-10(2)14(16)15(20)17-7-6-12(8-17)9-18(11(3)19)13-4-5-13/h10,12-14H,4-9,16H2,1-3H3/t12?,14-/m0/s1
InChIKeyJAFCROZBVJYPTL-PYMCNQPYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide 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

N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 66567701
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
N-[(3S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567713
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566388
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 77144249
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
(2S)-2-amino-1-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 121230429
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 66565973
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
CID 66567687

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide?
The IUPAC name of N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide (CID 66567716) is N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide is CC(=O)N(CC1CCN(C(=O)[C@@H](N)C(C)C)C1)C1CC1.
What is the InChIKey of N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide?
The InChIKey is JAFCROZBVJYPTL-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)14(16)15(20)17-7-6-12(8-17)9-18(11(3)19)13-4-5-13/h10,12-14H,4-9,16H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide?
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide is sourced from PubChem (CID 66567716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).