2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid

C9H18N2O4 — CID 166995124

IUPAC2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid
SMILESCC(N)C(C(=O)O)C(C(=O)O)C(C)(C)N
InChIInChI=1S/C9H18N2O4/c1-4(10)5(7(12)13)6(8(14)15)9(2,3)11/h4-6H,10-11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWNPARLMCPAMLOT-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.53
Rot. Bonds5

About 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid

2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid (PubChem CID 166995124) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid
PubChem CID166995124
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid
SMILESCC(N)C(C(=O)O)C(C(=O)O)C(C)(C)N
InChIInChI=1S/C9H18N2O4/c1-4(10)5(7(12)13)6(8(14)15)9(2,3)11/h4-6H,10-11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWNPARLMCPAMLOT-UHFFFAOYSA-N
XLogP-0.53
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-2-propan-2-ylbutanoic acid
CID 45122188
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
potassium;2-aminopropanoic acid;hydride
CID 173162937
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid?
The IUPAC name of 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid (CID 166995124) is 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid.
What is the SMILES notation for 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid?
The canonical SMILES for 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid is CC(N)C(C(=O)O)C(C(=O)O)C(C)(C)N.
What is the InChIKey of 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid?
The InChIKey is WNPARLMCPAMLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4(10)5(7(12)13)6(8(14)15)9(2,3)11/h4-6H,10-11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid?
2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid has a molecular weight of 218.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid is sourced from PubChem (CID 166995124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).