(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid

C8H16N2O5 — CID 153453865

IUPAC(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(CC(O)O)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H16N2O5/c1-10(4-7(13)14)8(15)5(9)2-3-6(11)12/h5,7,13-14H,2-4,9H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyDDLUTOKZODMFIF-YFKPBYRVSA-N
MW220.22 g/mol
LogP-2.05
Rot. Bonds6

About (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid

(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 153453865) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
PubChem CID153453865
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(CC(O)O)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H16N2O5/c1-10(4-7(13)14)8(15)5(9)2-3-6(11)12/h5,7,13-14H,2-4,9H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyDDLUTOKZODMFIF-YFKPBYRVSA-N
XLogP-2.05
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)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

4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890077
4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
CID 64889359
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 64890889
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;N,N-dimethylformamide
CID 174735498
3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64895078
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid (CID 153453865) is (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid is CN(CC(O)O)C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is DDLUTOKZODMFIF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-10(4-7(13)14)8(15)5(9)2-3-6(11)12/h5,7,13-14H,2-4,9H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid?
(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 220.22 g/mol, XLogP of -2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 153453865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).