(1-aminocyclopentyl)phosphonic acid

C5H12NO3P — CID 2733968

IUPAC(1-aminocyclopentyl)phosphonic acid
SMILESNC1(P(=O)(O)O)CCCC1
InChIInChI=1S/C5H12NO3P/c6-5(10(7,8)9)3-1-2-4-5/h1-4,6H2,(H2,7,8,9)
InChIKeyFBXFXDVQDQRPCE-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.39
Rot. Bonds1

About (1-aminocyclopentyl)phosphonic acid

(1-aminocyclopentyl)phosphonic acid (PubChem CID 2733968) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is (1-aminocyclopentyl)phosphonic acid.

Molecular Properties

Compound Name(1-aminocyclopentyl)phosphonic acid
PubChem CID2733968
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name(1-aminocyclopentyl)phosphonic acid
SMILESNC1(P(=O)(O)O)CCCC1
InChIInChI=1S/C5H12NO3P/c6-5(10(7,8)9)3-1-2-4-5/h1-4,6H2,(H2,7,8,9)
InChIKeyFBXFXDVQDQRPCE-UHFFFAOYSA-N
XLogP0.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.39
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

4-amino-4-phosphonocyclohexane-1-carboxylic acid
CID 130154019
[1-(aminomethyl)cyclopentyl]phosphonic acid
CID 14901045
(1-methylcyclohexyl)phosphonic acid
CID 154345979
(5-phosphonoazonan-5-yl)phosphonic acid
CID 139663575
cyclohexane;phosphoric acid
CID 66712199
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
(1-methoxycarbonylcyclopentyl)phosphonic acid
CID 70142397
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-aminocyclopentane-1-carboxylic acid
CID 2901
1-aminocyclopentane-1-carboxamide
CID 139066563
(2-phosphonopyrrolidin-2-yl)phosphonic acid
CID 12886166
(1-aminocyclohexyl)-butoxyphosphinate
CID 71368025

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)phosphonic acid?
The IUPAC name of (1-aminocyclopentyl)phosphonic acid (CID 2733968) is (1-aminocyclopentyl)phosphonic acid.
What is the SMILES notation for (1-aminocyclopentyl)phosphonic acid?
The canonical SMILES for (1-aminocyclopentyl)phosphonic acid is NC1(P(=O)(O)O)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)phosphonic acid?
The InChIKey is FBXFXDVQDQRPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3P/c6-5(10(7,8)9)3-1-2-4-5/h1-4,6H2,(H2,7,8,9).
What are the key properties of (1-aminocyclopentyl)phosphonic acid?
(1-aminocyclopentyl)phosphonic acid has a molecular weight of 165.13 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)phosphonic acid is sourced from PubChem (CID 2733968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).