4-(2,3-diaminopropylamino)butanoic acid

C7H17N3O2 — CID 57204505

IUPAC4-(2,3-diaminopropylamino)butanoic acid
SMILESNCC(N)CNCCCC(=O)O
InChIInChI=1S/C7H17N3O2/c8-4-6(9)5-10-3-1-2-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)
InChIKeyMXQMCMHUFHDMLC-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.27
Rot. Bonds7

About 4-(2,3-diaminopropylamino)butanoic acid

4-(2,3-diaminopropylamino)butanoic acid (PubChem CID 57204505) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2,3-diaminopropylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,3-diaminopropylamino)butanoic acid
PubChem CID57204505
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name4-(2,3-diaminopropylamino)butanoic acid
SMILESNCC(N)CNCCCC(=O)O
InChIInChI=1S/C7H17N3O2/c8-4-6(9)5-10-3-1-2-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)
InChIKeyMXQMCMHUFHDMLC-UHFFFAOYSA-N
XLogP-1.27
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diaminopropylamino)butanoic acid?
The IUPAC name of 4-(2,3-diaminopropylamino)butanoic acid (CID 57204505) is 4-(2,3-diaminopropylamino)butanoic acid.
What is the SMILES notation for 4-(2,3-diaminopropylamino)butanoic acid?
The canonical SMILES for 4-(2,3-diaminopropylamino)butanoic acid is NCC(N)CNCCCC(=O)O.
What is the InChIKey of 4-(2,3-diaminopropylamino)butanoic acid?
The InChIKey is MXQMCMHUFHDMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c8-4-6(9)5-10-3-1-2-7(11)12/h6,10H,1-5,8-9H2,(H,11,12).
What are the key properties of 4-(2,3-diaminopropylamino)butanoic acid?
4-(2,3-diaminopropylamino)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of -1.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diaminopropylamino)butanoic acid is sourced from PubChem (CID 57204505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).