(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide

C13H25N3O — CID 79013040

IUPAC(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)13(17)15-7-10-5-6-16(8-10)11-3-4-11/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t10?,12-/m1/s1
InChIKeyKHADRUWTDZBPGA-TVKKRMFBSA-N
MW239.36 g/mol
LogP0.57
Rot. Bonds5

About (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide

(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide (PubChem CID 79013040) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
PubChem CID79013040
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)13(17)15-7-10-5-6-16(8-10)11-3-4-11/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t10?,12-/m1/s1
InChIKeyKHADRUWTDZBPGA-TVKKRMFBSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylbutanamide
CID 61058403
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide (CID 79013040) is (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide?
The InChIKey is KHADRUWTDZBPGA-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)12(14)13(17)15-7-10-5-6-16(8-10)11-3-4-11/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide?
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide has a molecular weight of 239.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 79013040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).