(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride

C13H20ClN3O3 — CID 119305153

IUPAC(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
SMILESCOC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-8(14)12(17)15-10-5-4-6-11(7-10)16-13(18)9(2)19-3;/h4-9H,14H2,1-3H3,(H,15,17)(H,16,18);1H/t8-,9?;/m0./s1
InChIKeyROROOEAMTXMLAO-GUORDYTPSA-N
MW301.77 g/mol
LogP1.37
Rot. Bonds5

About (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride (PubChem CID 119305153) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
PubChem CID119305153
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
SMILESCOC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-8(14)12(17)15-10-5-4-6-11(7-10)16-13(18)9(2)19-3;/h4-9H,14H2,1-3H3,(H,15,17)(H,16,18);1H/t8-,9?;/m0./s1
InChIKeyROROOEAMTXMLAO-GUORDYTPSA-N
XLogP1.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
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methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
3-(2-aminopropanoylamino)benzamide
CID 61258270
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride (CID 119305153) is (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride is COC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
The InChIKey is ROROOEAMTXMLAO-GUORDYTPSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-8(14)12(17)15-10-5-4-6-11(7-10)16-13(18)9(2)19-3;/h4-9H,14H2,1-3H3,(H,15,17)(H,16,18);1H/t8-,9?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119305153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).