1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride

C12H16ClN3O3 — CID 119702073

IUPAC1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)COc1cccc(NC(=O)C2(N)CC2)c1
InChIInChI=1S/C12H15N3O3.ClH/c13-10(16)7-18-9-3-1-2-8(6-9)15-11(17)12(14)4-5-12;/h1-3,6H,4-5,7,14H2,(H2,13,16)(H,15,17);1H
InChIKeyACDVGJXHFSXWQQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.40
Rot. Bonds5

About 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119702073) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119702073
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)COc1cccc(NC(=O)C2(N)CC2)c1
InChIInChI=1S/C12H15N3O3.ClH/c13-10(16)7-18-9-3-1-2-8(6-9)15-11(17)12(14)4-5-12;/h1-3,6H,4-5,7,14H2,(H2,13,16)(H,15,17);1H
InChIKeyACDVGJXHFSXWQQ-UHFFFAOYSA-N
XLogP0.40
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
CID 115293964

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119702073) is 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC(=O)COc1cccc(NC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ACDVGJXHFSXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c13-10(16)7-18-9-3-1-2-8(6-9)15-11(17)12(14)4-5-12;/h1-3,6H,4-5,7,14H2,(H2,13,16)(H,15,17);1H.
What are the key properties of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119702073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).