4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid

C8H16N2O5 — CID 66168915

IUPAC4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC(O)CO
InChIInChI=1S/C8H16N2O5/c9-6(1-2-7(13)14)8(15)10-3-5(12)4-11/h5-6,11-12H,1-4,9H2,(H,10,15)(H,13,14)
InChIKeyMDHYIEWXSBYGKM-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.35
Rot. Bonds7

About 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid

4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid (PubChem CID 66168915) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
PubChem CID66168915
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC(O)CO
InChIInChI=1S/C8H16N2O5/c9-6(1-2-7(13)14)8(15)10-3-5(12)4-11/h5-6,11-12H,1-4,9H2,(H,10,15)(H,13,14)
InChIKeyMDHYIEWXSBYGKM-UHFFFAOYSA-N
XLogP-2.35
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-(2,3-dihydroxypropylamino)-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

2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 135319453
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
4-amino-5-(methylsulfanylamino)-5-oxopentanoic acid
CID 123930229
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 65106502
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
CID 54163471
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid (CID 66168915) is 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCC(O)CO.
What is the InChIKey of 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid?
The InChIKey is MDHYIEWXSBYGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c9-6(1-2-7(13)14)8(15)10-3-5(12)4-11/h5-6,11-12H,1-4,9H2,(H,10,15)(H,13,14).
What are the key properties of 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid?
4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid has a molecular weight of 220.22 g/mol, XLogP of -2.35, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid is sourced from PubChem (CID 66168915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).