N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide

C12H15N3O2 — CID 61251263

IUPACN-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
SMILESNCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C12H15N3O2/c13-7-11(16)14-9-2-1-3-10(6-9)15-12(17)8-4-5-8/h1-3,6,8H,4-5,7,13H2,(H,14,16)(H,15,17)
InChIKeyZPFPLMAFMBEBGS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.93
Rot. Bonds4

About N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide

N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 61251263) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID61251263
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
SMILESNCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C12H15N3O2/c13-7-11(16)14-9-2-1-3-10(6-9)15-12(17)8-4-5-8/h1-3,6,8H,4-5,7,13H2,(H,14,16)(H,15,17)
InChIKeyZPFPLMAFMBEBGS-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
CID 81083957
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569187
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide (CID 61251263) is N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide is NCC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is ZPFPLMAFMBEBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-7-11(16)14-9-2-1-3-10(6-9)15-12(17)8-4-5-8/h1-3,6,8H,4-5,7,13H2,(H,14,16)(H,15,17).
What are the key properties of N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide?
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 61251263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).