4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid

C9H19N3O3 — CID 64889359

IUPAC4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
SMILESCNCCN(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H19N3O3/c1-11-5-6-12(2)9(15)7(10)3-4-8(13)14/h7,11H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyVISGAHWFADICRQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.14
Rot. Bonds7

About 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid

4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid (PubChem CID 64889359) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
PubChem CID64889359
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
SMILESCNCCN(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H19N3O3/c1-11-5-6-12(2)9(15)7(10)3-4-8(13)14/h7,11H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyVISGAHWFADICRQ-UHFFFAOYSA-N
XLogP-1.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
CID 153453865
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890077
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
3-[(6-amino-2-methylheptanoyl)-methylamino]propanoic acid
CID 65291161

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid (CID 64889359) is 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid is CNCCN(C)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is VISGAHWFADICRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-11-5-6-12(2)9(15)7(10)3-4-8(13)14/h7,11H,3-6,10H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid?
4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 217.27 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 64889359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).