(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide

C13H18N2O3 — CID 14620802

IUPAC(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
SMILESC[C@@H](N)C(=O)NCCCc1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-9(14)13(16)15-6-2-3-10-4-5-11-12(7-10)18-8-17-11/h4-5,7,9H,2-3,6,8,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyIYQHEXGBYSEVQB-SECBINFHSA-N
MW250.30 g/mol
LogP0.81
Rot. Bonds5

About (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide

(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide (PubChem CID 14620802) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
PubChem CID14620802
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
SMILESC[C@@H](N)C(=O)NCCCc1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-9(14)13(16)15-6-2-3-10-4-5-11-12(7-10)18-8-17-11/h4-5,7,9H,2-3,6,8,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyIYQHEXGBYSEVQB-SECBINFHSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanamide
CID 115153791
N'-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanediamide
CID 173077983
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]butanamide
CID 115154322
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)propanamide
CID 18159601
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)-3-methylbutanamide
CID 46520896
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
CID 107300178
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
N-[3-(1,3-benzodioxol-5-yl)propyl]-3,5-dimethoxybenzamide
CID 110371217
5-(1,3-benzodioxol-5-yl)-2,3-dimethylpentanoic acid
CID 79729013
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide (CID 14620802) is (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide is C[C@@H](N)C(=O)NCCCc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide?
The InChIKey is IYQHEXGBYSEVQB-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(14)13(16)15-6-2-3-10-4-5-11-12(7-10)18-8-17-11/h4-5,7,9H,2-3,6,8,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide?
(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.81, 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-[3-(1,3-benzodioxol-5-yl)propyl]propanamide is sourced from PubChem (CID 14620802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).