(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride

C12H18ClN3O3 — CID 119294951

IUPAC(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccc(OCCC(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-8(13)12(17)15-9-2-4-10(5-3-9)18-7-6-11(14)16;/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17);1H/t8-;/m1./s1
InChIKeyRZAHUVBWLIZPIV-DDWIOCJRSA-N
MW287.75 g/mol
LogP0.65
Rot. Bonds6

About (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride

(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride (PubChem CID 119294951) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
PubChem CID119294951
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccc(OCCC(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-8(13)12(17)15-9-2-4-10(5-3-9)18-7-6-11(14)16;/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17);1H/t8-;/m1./s1
InChIKeyRZAHUVBWLIZPIV-DDWIOCJRSA-N
XLogP0.65
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromo-3-methylbutanamide
CID 43696967
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
CID 120989161
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55847557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride (CID 119294951) is (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride is C[C@@H](N)C(=O)Nc1ccc(OCCC(N)=O)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride?
The InChIKey is RZAHUVBWLIZPIV-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-8(13)12(17)15-9-2-4-10(5-3-9)18-7-6-11(14)16;/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride?
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119294951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).