[1-(aminomethyl)cyclopropyl]methylcarbamic acid

C6H12N2O2 — CID 89477777

IUPAC[1-(aminomethyl)cyclopropyl]methylcarbamic acid
SMILESNCC1(CNC(=O)O)CC1
InChIInChI=1S/C6H12N2O2/c7-3-6(1-2-6)4-8-5(9)10/h8H,1-4,7H2,(H,9,10)
InChIKeyCLUYAYRHXRVFNM-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.01
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]methylcarbamic acid

[1-(aminomethyl)cyclopropyl]methylcarbamic acid (PubChem CID 89477777) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]methylcarbamic acid
PubChem CID89477777
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name[1-(aminomethyl)cyclopropyl]methylcarbamic acid
SMILESNCC1(CNC(=O)O)CC1
InChIInChI=1S/C6H12N2O2/c7-3-6(1-2-6)4-8-5(9)10/h8H,1-4,7H2,(H,9,10)
InChIKeyCLUYAYRHXRVFNM-UHFFFAOYSA-N
XLogP-0.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
CID 115456912
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
CID 113295201
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclopentylacetamide
CID 115456696
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-butylurea
CID 115456919
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 115365476
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604290
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 112604289
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113295138

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]methylcarbamic acid?
The IUPAC name of [1-(aminomethyl)cyclopropyl]methylcarbamic acid (CID 89477777) is [1-(aminomethyl)cyclopropyl]methylcarbamic acid.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]methylcarbamic acid?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]methylcarbamic acid is NCC1(CNC(=O)O)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]methylcarbamic acid?
The InChIKey is CLUYAYRHXRVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-6(1-2-6)4-8-5(9)10/h8H,1-4,7H2,(H,9,10).
What are the key properties of [1-(aminomethyl)cyclopropyl]methylcarbamic acid?
[1-(aminomethyl)cyclopropyl]methylcarbamic acid has a molecular weight of 144.17 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]methylcarbamic acid is sourced from PubChem (CID 89477777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).