(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid

C10H18N2O5 — CID 107937845

IUPAC(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
SMILESCCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-5-17-6-9(14)12-7(10(15)16)3-4-8(11)13/h7H,2-6H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyREMRFLPMBJHEEC-ZETCQYMHSA-N
MW246.26 g/mol
LogP-0.75
Rot. Bonds9

About (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid (PubChem CID 107937845) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
PubChem CID107937845
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
SMILESCCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-5-17-6-9(14)12-7(10(15)16)3-4-8(11)13/h7H,2-6H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyREMRFLPMBJHEEC-ZETCQYMHSA-N
XLogP-0.75
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic 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)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
5-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-2-[[4-[[4-(butanoylamino)-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 177284901
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
2-[[2-(2-aminoethoxy)acetyl]amino]pentanedioic acid
CID 79473877
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
2-[(2-ethoxyacetyl)amino]pentanedioic acid
CID 60831138
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid (CID 107937845) is (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid is CCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid?
The InChIKey is REMRFLPMBJHEEC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-5-17-6-9(14)12-7(10(15)16)3-4-8(11)13/h7H,2-6H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid is sourced from PubChem (CID 107937845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).