4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid

C8H17N3O3 — CID 15373226

IUPAC4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid
SMILESNCCN(CCN)C(=O)CCC(=O)O
InChIInChI=1S/C8H17N3O3/c9-3-5-11(6-4-10)7(12)1-2-8(13)14/h1-6,9-10H2,(H,13,14)
InChIKeyMTYNHAMHBKISRM-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.40
Rot. Bonds7

About 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid

4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid (PubChem CID 15373226) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid
PubChem CID15373226
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid
SMILESNCCN(CCN)C(=O)CCC(=O)O
InChIInChI=1S/C8H17N3O3/c9-3-5-11(6-4-10)7(12)1-2-8(13)14/h1-6,9-10H2,(H,13,14)
InChIKeyMTYNHAMHBKISRM-UHFFFAOYSA-N
XLogP-1.40
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid (CID 15373226) is 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid is NCCN(CCN)C(=O)CCC(=O)O.
What is the InChIKey of 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid?
The InChIKey is MTYNHAMHBKISRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c9-3-5-11(6-4-10)7(12)1-2-8(13)14/h1-6,9-10H2,(H,13,14).
What are the key properties of 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid?
4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-aminoethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 15373226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).