2-[bis(1-aminoethyl)amino]propanoic acid

C7H17N3O2 — CID 87525384

IUPAC2-[bis(1-aminoethyl)amino]propanoic acid
SMILESCC(N)N(C(C)N)C(C)C(=O)O
InChIInChI=1S/C7H17N3O2/c1-4(7(11)12)10(5(2)8)6(3)9/h4-6H,8-9H2,1-3H3,(H,11,12)
InChIKeyBKUGYRZTETZKEZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.63
Rot. Bonds4

About 2-[bis(1-aminoethyl)amino]propanoic acid

2-[bis(1-aminoethyl)amino]propanoic acid (PubChem CID 87525384) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[bis(1-aminoethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[bis(1-aminoethyl)amino]propanoic acid
PubChem CID87525384
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name2-[bis(1-aminoethyl)amino]propanoic acid
SMILESCC(N)N(C(C)N)C(C)C(=O)O
InChIInChI=1S/C7H17N3O2/c1-4(7(11)12)10(5(2)8)6(3)9/h4-6H,8-9H2,1-3H3,(H,11,12)
InChIKeyBKUGYRZTETZKEZ-UHFFFAOYSA-N
XLogP-0.63
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618
(2S)-2-[carbamoyl(methyl)amino]propanoic acid
CID 94520574
2-[acetyl(amino)amino]propanoic acid
CID 174435171
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-aminoethyl)amino]propanoic acid?
The IUPAC name of 2-[bis(1-aminoethyl)amino]propanoic acid (CID 87525384) is 2-[bis(1-aminoethyl)amino]propanoic acid.
What is the SMILES notation for 2-[bis(1-aminoethyl)amino]propanoic acid?
The canonical SMILES for 2-[bis(1-aminoethyl)amino]propanoic acid is CC(N)N(C(C)N)C(C)C(=O)O.
What is the InChIKey of 2-[bis(1-aminoethyl)amino]propanoic acid?
The InChIKey is BKUGYRZTETZKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-4(7(11)12)10(5(2)8)6(3)9/h4-6H,8-9H2,1-3H3,(H,11,12).
What are the key properties of 2-[bis(1-aminoethyl)amino]propanoic acid?
2-[bis(1-aminoethyl)amino]propanoic acid has a molecular weight of 175.23 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-aminoethyl)amino]propanoic acid is sourced from PubChem (CID 87525384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).