3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid

C14H30N4O3 — CID 64896902

IUPAC3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
SMILESCN(C)CCCN(CCCN(C)C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C14H30N4O3/c1-16(2)7-5-9-18(10-6-8-17(3)4)14(21)12(15)11-13(19)20/h12H,5-11,15H2,1-4H3,(H,19,20)
InChIKeyJMFKLZKLXMLPHN-UHFFFAOYSA-N
MW302.42 g/mol
LogP-0.48
Rot. Bonds11

About 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid

3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid (PubChem CID 64896902) has the molecular formula C14H30N4O3 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
PubChem CID64896902
Molecular FormulaC14H30N4O3
Molecular Weight302.42 g/mol
Exact Mass302.23
IUPAC Name3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
SMILESCN(C)CCCN(CCCN(C)C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C14H30N4O3/c1-16(2)7-5-9-18(10-6-8-17(3)4)14(21)12(15)11-13(19)20/h12H,5-11,15H2,1-4H3,(H,19,20)
InChIKeyJMFKLZKLXMLPHN-UHFFFAOYSA-N
XLogP-0.48
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64896709
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
CID 54874249
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid (CID 64896902) is 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid is CN(C)CCCN(CCCN(C)C)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid?
The InChIKey is JMFKLZKLXMLPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3/c1-16(2)7-5-9-18(10-6-8-17(3)4)14(21)12(15)11-13(19)20/h12H,5-11,15H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid?
3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid has a molecular weight of 302.42 g/mol, XLogP of -0.48, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 64896902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).