ethyl 4-(diaminophosphorylamino)butanoate

C6H16N3O3P — CID 88722731

IUPACethyl 4-(diaminophosphorylamino)butanoate
SMILESCCOC(=O)CCCNP(N)(N)=O
InChIInChI=1S/C6H16N3O3P/c1-2-12-6(10)4-3-5-9-13(7,8)11/h2-5H2,1H3,(H5,7,8,9,11)
InChIKeyQALGPPQXHLSBKN-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.06
Rot. Bonds6

About ethyl 4-(diaminophosphorylamino)butanoate

ethyl 4-(diaminophosphorylamino)butanoate (PubChem CID 88722731) has the molecular formula C6H16N3O3P and a molecular weight of 209.19 g/mol. Its IUPAC name is ethyl 4-(diaminophosphorylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(diaminophosphorylamino)butanoate
PubChem CID88722731
Molecular FormulaC6H16N3O3P
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Nameethyl 4-(diaminophosphorylamino)butanoate
SMILESCCOC(=O)CCCNP(N)(N)=O
InChIInChI=1S/C6H16N3O3P/c1-2-12-6(10)4-3-5-9-13(7,8)11/h2-5H2,1H3,(H5,7,8,9,11)
InChIKeyQALGPPQXHLSBKN-UHFFFAOYSA-N
XLogP-0.06
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
diethyl hexanedioate
CID 160747628
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
diethyl icosanedioate
CID 5058538
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diaminophosphorylamino)butanoate?
The IUPAC name of ethyl 4-(diaminophosphorylamino)butanoate (CID 88722731) is ethyl 4-(diaminophosphorylamino)butanoate.
What is the SMILES notation for ethyl 4-(diaminophosphorylamino)butanoate?
The canonical SMILES for ethyl 4-(diaminophosphorylamino)butanoate is CCOC(=O)CCCNP(N)(N)=O.
What is the InChIKey of ethyl 4-(diaminophosphorylamino)butanoate?
The InChIKey is QALGPPQXHLSBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N3O3P/c1-2-12-6(10)4-3-5-9-13(7,8)11/h2-5H2,1H3,(H5,7,8,9,11).
What are the key properties of ethyl 4-(diaminophosphorylamino)butanoate?
ethyl 4-(diaminophosphorylamino)butanoate has a molecular weight of 209.19 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diaminophosphorylamino)butanoate is sourced from PubChem (CID 88722731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).