(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid

C8H16NO3P — CID 173397788

IUPAC(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid
SMILESC=CCC(=CC(C)N)CP(=O)(O)O
InChIInChI=1S/C8H16NO3P/c1-3-4-8(5-7(2)9)6-13(10,11)12/h3,5,7H,1,4,6,9H2,2H3,(H2,10,11,12)
InChIKeyMNYVZEXLGBJWJW-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.01
Rot. Bonds5

About (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid

(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid (PubChem CID 173397788) has the molecular formula C8H16NO3P and a molecular weight of 205.19 g/mol. Its IUPAC name is (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid.

Molecular Properties

Compound Name(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid
PubChem CID173397788
Molecular FormulaC8H16NO3P
Molecular Weight205.19 g/mol
Exact Mass205.09
IUPAC Name(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid
SMILESC=CCC(=CC(C)N)CP(=O)(O)O
InChIInChI=1S/C8H16NO3P/c1-3-4-8(5-7(2)9)6-13(10,11)12/h3,5,7H,1,4,6,9H2,2H3,(H2,10,11,12)
InChIKeyMNYVZEXLGBJWJW-UHFFFAOYSA-N
XLogP1.01
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-phenylpent-2-enyl)phosphonic acid
CID 54459364
(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
CID 171319241
(E)-2-amino-4-(phosphonomethyl)oct-3-enoic acid
CID 88508906
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
3-methylidenehex-5-en-2-amine
CID 173274265
prop-2-enyl 4-amino-2-methylpent-2-enoate
CID 173130673
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
hex-5-ene-1,1-diamine;methylphosphonic acid
CID 21397790
penta-1,4-dien-2-ylphosphonic acid
CID 23116776

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid?
The IUPAC name of (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid (CID 173397788) is (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid.
What is the SMILES notation for (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid?
The canonical SMILES for (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid is C=CCC(=CC(C)N)CP(=O)(O)O.
What is the InChIKey of (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid?
The InChIKey is MNYVZEXLGBJWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3P/c1-3-4-8(5-7(2)9)6-13(10,11)12/h3,5,7H,1,4,6,9H2,2H3,(H2,10,11,12).
What are the key properties of (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid?
(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid has a molecular weight of 205.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid is sourced from PubChem (CID 173397788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).