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

C13H25N3O — CID 121226146

IUPAC2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide
SMILESCC(C)C(N)C(=O)N(C1CC1)[C@H]1CCN(C)C1
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)13(17)16(10-4-5-10)11-6-7-15(3)8-11/h9-12H,4-8,14H2,1-3H3/t11-,12?/m0/s1
InChIKeyRXWBCVMMDVDYHM-PXYINDEMSA-N
MW239.36 g/mol
LogP0.66
Rot. Bonds4

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

2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide (PubChem CID 121226146) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide
PubChem CID121226146
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide
SMILESCC(C)C(N)C(=O)N(C1CC1)[C@H]1CCN(C)C1
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)13(17)16(10-4-5-10)11-6-7-15(3)8-11/h9-12H,4-8,14H2,1-3H3/t11-,12?/m0/s1
InChIKeyRXWBCVMMDVDYHM-PXYINDEMSA-N
XLogP0.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 66565973
2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
CID 77143929
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875
N-[(3S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567713
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
(2S)-2-amino-N-cyclopropyl-N-(thian-4-yl)propanamide
CID 129496583
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide
CID 121226139

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide (CID 121226146) is 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide is CC(C)C(N)C(=O)N(C1CC1)[C@H]1CCN(C)C1.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide?
The InChIKey is RXWBCVMMDVDYHM-PXYINDEMSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)12(14)13(17)16(10-4-5-10)11-6-7-15(3)8-11/h9-12H,4-8,14H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide?
2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide has a molecular weight of 239.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide is sourced from PubChem (CID 121226146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).