4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid

C12H25N3O3 — CID 114134040

IUPAC4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
SMILESCCCN(CC)CCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H25N3O3/c1-3-8-15(4-2)9-7-14-12(18)10(13)5-6-11(16)17/h10H,3-9,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyIULWERGLPUMDIT-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.03
Rot. Bonds10

About 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid

4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid (PubChem CID 114134040) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
PubChem CID114134040
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
SMILESCCCN(CC)CCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H25N3O3/c1-3-8-15(4-2)9-7-14-12(18)10(13)5-6-11(16)17/h10H,3-9,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyIULWERGLPUMDIT-UHFFFAOYSA-N
XLogP0.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-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

(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
CID 61148645
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
4-amino-5-[4-[methyl(propan-2-yl)amino]butylamino]-5-oxopentanoic acid
CID 64888379
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
(4S)-4-amino-5-oxooctanoic acid
CID 90935550
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid (CID 114134040) is 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid is CCCN(CC)CCNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid?
The InChIKey is IULWERGLPUMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-3-8-15(4-2)9-7-14-12(18)10(13)5-6-11(16)17/h10H,3-9,13H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 114134040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).