(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane

C14H31N3O4 — CID 145215889

IUPAC(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
SMILESCC.CC.CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCN
InChIInChI=1S/C10H19N3O4.2C2H6/c1-2-8(14)13-7(3-4-9(15)16)10(17)12-6-5-11;2*1-2/h7H,2-6,11H2,1H3,(H,12,17)(H,13,14)(H,15,16);2*1-2H3/t7-;;/m1../s1
InChIKeySFDZZIIICLAGMP-XCUBXKJBSA-N
MW305.42 g/mol
LogP0.87
Rot. Bonds8

About (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane

(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane (PubChem CID 145215889) has the molecular formula C14H31N3O4 and a molecular weight of 305.42 g/mol. Its IUPAC name is (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane.

Molecular Properties

Compound Name(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
PubChem CID145215889
Molecular FormulaC14H31N3O4
Molecular Weight305.42 g/mol
Exact Mass305.23
IUPAC Name(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
SMILESCC.CC.CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCN
InChIInChI=1S/C10H19N3O4.2C2H6/c1-2-8(14)13-7(3-4-9(15)16)10(17)12-6-5-11;2*1-2/h7H,2-6,11H2,1H3,(H,12,17)(H,13,14)(H,15,16);2*1-2H3/t7-;;/m1../s1
InChIKeySFDZZIIICLAGMP-XCUBXKJBSA-N
XLogP0.87
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane 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

2-(propanoylamino)pentanedioic acid
CID 10436353
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-(propanoylamino)butanoyl]amino]-5,5-dihydroxypentanoyl]amino]butanoyl]amino]-5,5-dihydroxypentanoic acid
CID 155324966
(4S)-5-[2-[[(2S)-3-amino-2-(methylamino)propanoyl]amino]ethylamino]-4-(methylamino)-5-oxopentanoic acid;ethane
CID 144903460
4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid
CID 155353905
5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid
CID 177369489
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
4-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-5-[6-(dodecanoylamino)hexylamino]-5-oxopentanoic acid;ethane
CID 166081986
2-(6-aminohexanoylamino)pentanedioic acid;ethane
CID 142985665
N-[1-(2-aminoethylamino)-1-oxohexan-2-yl]-2-(octanoylamino)octanamide
CID 90159636
5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 145326538

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane?
The IUPAC name of (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane (CID 145215889) is (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane.
What is the SMILES notation for (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane?
The canonical SMILES for (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane is CC.CC.CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCN.
What is the InChIKey of (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane?
The InChIKey is SFDZZIIICLAGMP-XCUBXKJBSA-N. The full InChI is InChI=1S/C10H19N3O4.2C2H6/c1-2-8(14)13-7(3-4-9(15)16)10(17)12-6-5-11;2*1-2/h7H,2-6,11H2,1H3,(H,12,17)(H,13,14)(H,15,16);2*1-2H3/t7-;;/m1../s1.
What are the key properties of (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane?
(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane has a molecular weight of 305.42 g/mol, XLogP of 0.87, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane is sourced from PubChem (CID 145215889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).