(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride

C8H17ClNO4P — CID 134123358

IUPAC(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride
SMILESCOC(=O)C1(N)CCC(P(C)(=O)O)C1.Cl
InChIInChI=1S/C8H16NO4P.ClH/c1-13-7(10)8(9)4-3-6(5-8)14(2,11)12;/h6H,3-5,9H2,1-2H3,(H,11,12);1H
InChIKeyFMWPGVSUXZBPNF-UHFFFAOYSA-N
MW257.65 g/mol
LogP0.73
Rot. Bonds2

About (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride

(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride (PubChem CID 134123358) has the molecular formula C8H17ClNO4P and a molecular weight of 257.65 g/mol. Its IUPAC name is (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride.

Molecular Properties

Compound Name(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride
PubChem CID134123358
Molecular FormulaC8H17ClNO4P
Molecular Weight257.65 g/mol
Exact Mass257.06
IUPAC Name(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride
SMILESCOC(=O)C1(N)CCC(P(C)(=O)O)C1.Cl
InChIInChI=1S/C8H16NO4P.ClH/c1-13-7(10)8(9)4-3-6(5-8)14(2,11)12;/h6H,3-5,9H2,1-2H3,(H,11,12);1H
InChIKeyFMWPGVSUXZBPNF-UHFFFAOYSA-N
XLogP0.73
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[hydroxy(methyl)phosphoryl]cyclopentane-1-carboxylic acid
CID 14556194
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
cis-methyl (1R,3R)-1-amino-3-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 118877263
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
CID 138991482
methyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 67170841
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576
methyl (3S)-1-amino-3-(4-bromophenyl)cyclopentane-1-carboxylate
CID 69094601
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
CID 71254204
methyl 2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylate
CID 67076753

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride?
The IUPAC name of (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride (CID 134123358) is (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride.
What is the SMILES notation for (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride?
The canonical SMILES for (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride is COC(=O)C1(N)CCC(P(C)(=O)O)C1.Cl.
What is the InChIKey of (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride?
The InChIKey is FMWPGVSUXZBPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO4P.ClH/c1-13-7(10)8(9)4-3-6(5-8)14(2,11)12;/h6H,3-5,9H2,1-2H3,(H,11,12);1H.
What are the key properties of (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride?
(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride has a molecular weight of 257.65 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride is sourced from PubChem (CID 134123358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).