1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid

C11H14N2O2 — CID 84674164

IUPAC1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESNc1cccc(C(N)C2(C(=O)O)CC2)c1
InChIInChI=1S/C11H14N2O2/c12-8-3-1-2-7(6-8)9(13)11(4-5-11)10(14)15/h1-3,6,9H,4-5,12-13H2,(H,14,15)
InChIKeyKVRMIKRHWFHMIG-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.13
Rot. Bonds3

About 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid

1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 84674164) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID84674164
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESNc1cccc(C(N)C2(C(=O)O)CC2)c1
InChIInChI=1S/C11H14N2O2/c12-8-3-1-2-7(6-8)9(13)11(4-5-11)10(14)15/h1-3,6,9H,4-5,12-13H2,(H,14,15)
InChIKeyKVRMIKRHWFHMIG-UHFFFAOYSA-N
XLogP1.13
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[amino-(3-methylphenyl)methyl]oxetane-3-carboxylic acid
CID 116944657
1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943091
(2R)-2-(3-aminophenyl)-2-hydroxyacetamide
CID 129410054
1-[amino-(4-propan-2-ylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943125
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
2-(3-aminophenyl)-3-oxobutanoic acid
CID 141079800
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335
2-(3-aminophenyl)-3,3-dimethylbutanoic acid
CID 151643541
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid (CID 84674164) is 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid is Nc1cccc(C(N)C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KVRMIKRHWFHMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-8-3-1-2-7(6-8)9(13)11(4-5-11)10(14)15/h1-3,6,9H,4-5,12-13H2,(H,14,15).
What are the key properties of 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid?
1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-aminophenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84674164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).