2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid

C8H17N3O3 — CID 141092799

IUPAC2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid
SMILESNCCNC(=O)CC(CCN)C(=O)O
InChIInChI=1S/C8H17N3O3/c9-2-1-6(8(13)14)5-7(12)11-4-3-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)
InChIKeyNGVCFZNZLAJFGC-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.50
Rot. Bonds7

About 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid

2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid (PubChem CID 141092799) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid
PubChem CID141092799
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid
SMILESNCCNC(=O)CC(CCN)C(=O)O
InChIInChI=1S/C8H17N3O3/c9-2-1-6(8(13)14)5-7(12)11-4-3-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)
InChIKeyNGVCFZNZLAJFGC-UHFFFAOYSA-N
XLogP-1.50
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(fluoromethyl)butanoic acid
CID 83815073
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide
CID 144787954
N-(2-aminoethyl)-3-methyl-4-oxohexanamide
CID 145348693
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
N-(2-aminoethyl)-3-butyloctanamide
CID 88999153
2-[2-[2-[2-[2-(2-methylbutanoylamino)ethylamino]ethylamino]ethylamino]-2-oxoethyl]tetradecanoic acid
CID 20576070
3-amino-N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 174479454
N-(2-aminoethyl)-3-ethyloctanamide
CID 88999094
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
6-amino-2-[2-(4-carboxybutanoylamino)ethyl]hexanoic acid
CID 123913806

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid?
The IUPAC name of 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid (CID 141092799) is 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid is NCCNC(=O)CC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid?
The InChIKey is NGVCFZNZLAJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c9-2-1-6(8(13)14)5-7(12)11-4-3-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid?
2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 141092799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).