(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide

C14H27N3O — CID 66565973

IUPAC(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)N(CC1CCN(C)C1)C1CC1
InChIInChI=1S/C14H27N3O/c1-10(2)13(15)14(18)17(12-4-5-12)9-11-6-7-16(3)8-11/h10-13H,4-9,15H2,1-3H3/t11?,13-/m0/s1
InChIKeyIVJZOOBQUCMUAU-YUZLPWPTSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds5

About (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide

(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 66565973) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
PubChem CID66565973
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)N(CC1CCN(C)C1)C1CC1
InChIInChI=1S/C14H27N3O/c1-10(2)13(15)14(18)17(12-4-5-12)9-11-6-7-16(3)8-11/h10-13H,4-9,15H2,1-3H3/t11?,13-/m0/s1
InChIKeyIVJZOOBQUCMUAU-YUZLPWPTSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
CID 77143929
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]-cyclopropylamino]methyl]pyrrolidine-1-carboxylate
CID 66564211
2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide
CID 121226146
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
CID 66567716
tert-butyl (3S)-3-[[[(2S)-2-amino-3-methylbutanoyl]-cyclopropylamino]methyl]piperidine-1-carboxylate
CID 96552237
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66565350
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide (CID 66565973) is (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide is CC(C)[C@H](N)C(=O)N(CC1CCN(C)C1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is IVJZOOBQUCMUAU-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)13(15)14(18)17(12-4-5-12)9-11-6-7-16(3)8-11/h10-13H,4-9,15H2,1-3H3/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 253.39 g/mol, XLogP of 0.91, 5 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-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 66565973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).