(1-amino-2-butylcyclopropyl)phosphonic acid

C7H16NO3P — CID 102050175

IUPAC(1-amino-2-butylcyclopropyl)phosphonic acid
SMILESCCCCC1CC1(N)P(=O)(O)O
InChIInChI=1S/C7H16NO3P/c1-2-3-4-6-5-7(6,8)12(9,10)11/h6H,2-5,8H2,1H3,(H2,9,10,11)
InChIKeySVHWXYMCIZRIIX-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.03
Rot. Bonds4

About (1-amino-2-butylcyclopropyl)phosphonic acid

(1-amino-2-butylcyclopropyl)phosphonic acid (PubChem CID 102050175) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is (1-amino-2-butylcyclopropyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-2-butylcyclopropyl)phosphonic acid
PubChem CID102050175
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name(1-amino-2-butylcyclopropyl)phosphonic acid
SMILESCCCCC1CC1(N)P(=O)(O)O
InChIInChI=1S/C7H16NO3P/c1-2-3-4-6-5-7(6,8)12(9,10)11/h6H,2-5,8H2,1H3,(H2,9,10,11)
InChIKeySVHWXYMCIZRIIX-UHFFFAOYSA-N
XLogP1.03
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-amino-2-butylcyclopropyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-amino-2-butylcyclopropyl)methanol
CID 10726049
(2S,3R,5S)-5-butylspiro[2.2]pentane-2-carbaldehyde
CID 131231505
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
(1-phosphono-3-propylcyclobutyl)phosphonic acid
CID 19821558
2-butyl-1-methyl-1-nitrosocyclopropane
CID 88564371
[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol
CID 12025974
[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride
CID 10726048
dodecane;phosphoric acid
CID 88801558
diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186
2-heptyl-1-octylcyclopropane-1-carboxamide
CID 57359731
1-butyl-2-propylcyclopropan-1-amine
CID 79411808
cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-butylcyclopropyl)phosphonic acid?
The IUPAC name of (1-amino-2-butylcyclopropyl)phosphonic acid (CID 102050175) is (1-amino-2-butylcyclopropyl)phosphonic acid.
What is the SMILES notation for (1-amino-2-butylcyclopropyl)phosphonic acid?
The canonical SMILES for (1-amino-2-butylcyclopropyl)phosphonic acid is CCCCC1CC1(N)P(=O)(O)O.
What is the InChIKey of (1-amino-2-butylcyclopropyl)phosphonic acid?
The InChIKey is SVHWXYMCIZRIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-2-3-4-6-5-7(6,8)12(9,10)11/h6H,2-5,8H2,1H3,(H2,9,10,11).
What are the key properties of (1-amino-2-butylcyclopropyl)phosphonic acid?
(1-amino-2-butylcyclopropyl)phosphonic acid has a molecular weight of 193.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-butylcyclopropyl)phosphonic acid is sourced from PubChem (CID 102050175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).