(1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid

C7H15N2O4P — CID 150219589

IUPAC(1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid
SMILESCC(C)OCCC(N)(C#N)P(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-6(2)13-4-3-7(9,5-8)14(10,11)12/h6H,3-4,9H2,1-2H3,(H2,10,11,12)
InChIKeyFTEQLWYUJXGZJJ-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.16
Rot. Bonds5

About (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid

(1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid (PubChem CID 150219589) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid
PubChem CID150219589
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name(1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid
SMILESCC(C)OCCC(N)(C#N)P(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-6(2)13-4-3-7(9,5-8)14(10,11)12/h6H,3-4,9H2,1-2H3,(H2,10,11,12)
InChIKeyFTEQLWYUJXGZJJ-UHFFFAOYSA-N
XLogP0.16
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-di(propan-2-yloxy)phosphoryl-3-phenylpropanenitrile
CID 15470139
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
CID 106804405
(2S)-2-(3-cyano-3-methylbutoxy)propanoic acid
CID 104876020
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
CID 59323519
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594289

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid?
The IUPAC name of (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid (CID 150219589) is (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid.
What is the SMILES notation for (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid?
The canonical SMILES for (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid is CC(C)OCCC(N)(C#N)P(=O)(O)O.
What is the InChIKey of (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid?
The InChIKey is FTEQLWYUJXGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O4P/c1-6(2)13-4-3-7(9,5-8)14(10,11)12/h6H,3-4,9H2,1-2H3,(H2,10,11,12).
What are the key properties of (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid?
(1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid has a molecular weight of 222.18 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-cyano-3-propan-2-yloxypropyl)phosphonic acid is sourced from PubChem (CID 150219589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).