(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'}

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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).