methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride

C13H18ClN3O4 — CID 119277484

IUPACmethyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)CN)cc1.Cl
InChIInChI=1S/C13H17N3O4.ClH/c1-20-12(18)6-7-15-13(19)9-2-4-10(5-3-9)16-11(17)8-14;/h2-5H,6-8,14H2,1H3,(H,15,19)(H,16,17);1H
InChIKeyCOIBDVFQWMUJFZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP0.30
Rot. Bonds6

About methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride

methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride (PubChem CID 119277484) has the molecular formula C13H18ClN3O4 and a molecular weight of 315.76 g/mol. Its IUPAC name is methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride
PubChem CID119277484
Molecular FormulaC13H18ClN3O4
Molecular Weight315.76 g/mol
Exact Mass315.10
IUPAC Namemethyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)CN)cc1.Cl
InChIInChI=1S/C13H17N3O4.ClH/c1-20-12(18)6-7-15-13(19)9-2-4-10(5-3-9)16-11(17)8-14;/h2-5H,6-8,14H2,1H3,(H,15,19)(H,16,17);1H
InChIKeyCOIBDVFQWMUJFZ-UHFFFAOYSA-N
XLogP0.30
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(4-aminobutanoylamino)benzoyl]amino]propanoate
CID 119277505
methyl 3-[[4-[(4-amino-3-methoxybutanoyl)amino]benzoyl]amino]propanoate
CID 120587768
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
methyl 3-[[4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoyl]amino]propanoate;hydrochloride
CID 119277502
methyl 3-[[4-[3-(2-fluorophenyl)propanoylamino]benzoyl]amino]propanoate
CID 86917315
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
methyl 2-[4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]phenoxy]acetate
CID 55709187
methyl 3-[[4-[3-(3-bromophenyl)propanoylamino]benzoyl]amino]propanoate
CID 78839781
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride (CID 119277484) is methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride is COC(=O)CCNC(=O)c1ccc(NC(=O)CN)cc1.Cl.
What is the InChIKey of methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride?
The InChIKey is COIBDVFQWMUJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4.ClH/c1-20-12(18)6-7-15-13(19)9-2-4-10(5-3-9)16-11(17)8-14;/h2-5H,6-8,14H2,1H3,(H,15,19)(H,16,17);1H.
What are the key properties of methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride?
methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride has a molecular weight of 315.76 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 119277484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).