(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide

C12H16N2O3 — CID 106911920

IUPAC(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C12H16N2O3/c1-8(13)11(15)14-10-4-2-3-9(7-10)12-16-5-6-17-12/h2-4,7-8,12H,5-6,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyAXBCLBAFDKRHRO-QMMMGPOBSA-N
MW236.27 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide

(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide (PubChem CID 106911920) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
PubChem CID106911920
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C12H16N2O3/c1-8(13)11(15)14-10-4-2-3-9(7-10)12-16-5-6-17-12/h2-4,7-8,12H,5-6,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyAXBCLBAFDKRHRO-QMMMGPOBSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911980
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
3-(2-aminopropanoylamino)benzamide
CID 61258270
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
(2R)-2-amino-N-phenylpropanamide
CID 10607114
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide (CID 106911920) is (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide is C[C@H](N)C(=O)Nc1cccc(C2OCCO2)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
The InChIKey is AXBCLBAFDKRHRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10-4-2-3-9(7-10)12-16-5-6-17-12/h2-4,7-8,12H,5-6,13H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide has a molecular weight of 236.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide is sourced from PubChem (CID 106911920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).