2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid

C14H29N3O3 — CID 64580859

IUPAC2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
SMILESCCN(CC)CCCC(C)NCC(NC(C)=O)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-5-17(6-2)9-7-8-11(3)15-10-13(14(19)20)16-12(4)18/h11,13,15H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyCKOVQSJCGVSYFN-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.68
Rot. Bonds11

About 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid

2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid (PubChem CID 64580859) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
PubChem CID64580859
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
SMILESCCN(CC)CCCC(C)NCC(NC(C)=O)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-5-17(6-2)9-7-8-11(3)15-10-13(14(19)20)16-12(4)18/h11,13,15H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyCKOVQSJCGVSYFN-UHFFFAOYSA-N
XLogP0.68
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic 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

3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid?
The IUPAC name of 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid (CID 64580859) is 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid is CCN(CC)CCCC(C)NCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid?
The InChIKey is CKOVQSJCGVSYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-5-17(6-2)9-7-8-11(3)15-10-13(14(19)20)16-12(4)18/h11,13,15H,5-10H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid?
2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid has a molecular weight of 287.40 g/mol, XLogP of 0.68, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid is sourced from PubChem (CID 64580859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).