1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride

C9H19ClNO4P — CID 134095929

IUPAC1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride
SMILESCC1(C)CC(N)(C(=O)O)CC1P(C)(=O)O.Cl
InChIInChI=1S/C9H18NO4P.ClH/c1-8(2)5-9(10,7(11)12)4-6(8)15(3,13)14;/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14);1H
InChIKeyQYGPKXIAYFPQPL-UHFFFAOYSA-N
MW271.68 g/mol
LogP1.28
Rot. Bonds2

About 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride

1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 134095929) has the molecular formula C9H19ClNO4P and a molecular weight of 271.68 g/mol. Its IUPAC name is 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride
PubChem CID134095929
Molecular FormulaC9H19ClNO4P
Molecular Weight271.68 g/mol
Exact Mass271.07
IUPAC Name1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride
SMILESCC1(C)CC(N)(C(=O)O)CC1P(C)(=O)O.Cl
InChIInChI=1S/C9H18NO4P.ClH/c1-8(2)5-9(10,7(11)12)4-6(8)15(3,13)14;/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14);1H
InChIKeyQYGPKXIAYFPQPL-UHFFFAOYSA-N
XLogP1.28
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 105439814
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
(3-amino-3-methoxycarbonylcyclopentyl)-methylphosphinic acid;hydrochloride
CID 134123358
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
CID 102274744
1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid
CID 57339971
4-aminopiperidine-4-carboxylic acid;dihydrochloride
CID 22907088
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
CID 15235153
cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 71528633
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
CID 88740342

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride (CID 134095929) is 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride is CC1(C)CC(N)(C(=O)O)CC1P(C)(=O)O.Cl.
What is the InChIKey of 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is QYGPKXIAYFPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO4P.ClH/c1-8(2)5-9(10,7(11)12)4-6(8)15(3,13)14;/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14);1H.
What are the key properties of 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 271.68 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 134095929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).