(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide

C13H18N2O3 — CID 103795712

IUPAC(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
SMILESCCC[C@@H](N)C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C13H18N2O3/c1-2-4-10(14)13(16)15-7-9-5-3-6-11-12(9)18-8-17-11/h3,5-6,10H,2,4,7-8,14H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyGWVIPWRXZODVRH-SNVBAGLBSA-N
MW250.30 g/mol
LogP1.16
Rot. Bonds5

About (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide

(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide (PubChem CID 103795712) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
PubChem CID103795712
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
SMILESCCC[C@@H](N)C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C13H18N2O3/c1-2-4-10(14)13(16)15-7-9-5-3-6-11-12(9)18-8-17-11/h3,5-6,10H,2,4,7-8,14H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyGWVIPWRXZODVRH-SNVBAGLBSA-N
XLogP1.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
CID 61212479
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylsulfanylbutanamide
CID 61211160
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
CID 76895703
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid
CID 103243083
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide (CID 103795712) is (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide is CCC[C@@H](N)C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide?
The InChIKey is GWVIPWRXZODVRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-4-10(14)13(16)15-7-9-5-3-6-11-12(9)18-8-17-11/h3,5-6,10H,2,4,7-8,14H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide?
(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide has a molecular weight of 250.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide is sourced from PubChem (CID 103795712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).