1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid

C8H15BrN2O2 — CID 166944123

IUPAC1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCC1)NBr
InChIInChI=1S/C8H15BrN2O2/c1-11(10-9)6-8(7(12)13)4-2-3-5-8/h10H,2-6H2,1H3,(H,12,13)
InChIKeySVXWTGHIDIKGGA-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.38
Rot. Bonds4

About 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 166944123) has the molecular formula C8H15BrN2O2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID166944123
Molecular FormulaC8H15BrN2O2
Molecular Weight251.12 g/mol
Exact Mass250.03
IUPAC Name1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCC1)NBr
InChIInChI=1S/C8H15BrN2O2/c1-11(10-9)6-8(7(12)13)4-2-3-5-8/h10H,2-6H2,1H3,(H,12,13)
InChIKeySVXWTGHIDIKGGA-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493

Frequently Asked Questions

What is the IUPAC name of 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid (CID 166944123) is 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid is CN(CC1(C(=O)O)CCCC1)NBr.
What is the InChIKey of 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SVXWTGHIDIKGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O2/c1-11(10-9)6-8(7(12)13)4-2-3-5-8/h10H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.12 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166944123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).