[1-(aminomethyl)cyclopentyl]phosphonic acid

C6H14NO3P — CID 14901045

IUPAC[1-(aminomethyl)cyclopentyl]phosphonic acid
SMILESNCC1(P(=O)(O)O)CCCC1
InChIInChI=1S/C6H14NO3P/c7-5-6(11(8,9)10)3-1-2-4-6/h1-5,7H2,(H2,8,9,10)
InChIKeyOUHHTANEFCBEDJ-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.44
Rot. Bonds2

About [1-(aminomethyl)cyclopentyl]phosphonic acid

[1-(aminomethyl)cyclopentyl]phosphonic acid (PubChem CID 14901045) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]phosphonic acid.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]phosphonic acid
PubChem CID14901045
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name[1-(aminomethyl)cyclopentyl]phosphonic acid
SMILESNCC1(P(=O)(O)O)CCCC1
InChIInChI=1S/C6H14NO3P/c7-5-6(11(8,9)10)3-1-2-4-6/h1-5,7H2,(H2,8,9,10)
InChIKeyOUHHTANEFCBEDJ-UHFFFAOYSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-aminocyclopentyl)phosphonic acid
CID 2733968
(1-methylcyclohexyl)phosphonic acid
CID 154345979
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
1-(aminomethyl)cyclopentane-1-carbonyl chloride
CID 45081354
1-(aminomethyl)cyclohexane-1-carbonyl chloride
CID 142629542
1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374
1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclopentane-1-carboxamide
CID 62923756
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
(5-phosphonoazonan-5-yl)phosphonic acid
CID 139663575
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
cyclohexane;phosphoric acid
CID 66712199

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]phosphonic acid?
The IUPAC name of [1-(aminomethyl)cyclopentyl]phosphonic acid (CID 14901045) is [1-(aminomethyl)cyclopentyl]phosphonic acid.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]phosphonic acid?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]phosphonic acid is NCC1(P(=O)(O)O)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]phosphonic acid?
The InChIKey is OUHHTANEFCBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c7-5-6(11(8,9)10)3-1-2-4-6/h1-5,7H2,(H2,8,9,10).
What are the key properties of [1-(aminomethyl)cyclopentyl]phosphonic acid?
[1-(aminomethyl)cyclopentyl]phosphonic acid has a molecular weight of 179.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]phosphonic acid is sourced from PubChem (CID 14901045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).