(5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide

C12H20N2O4 — CID 142393555

IUPAC(5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide
SMILESN[C@H](C=O)CCC(=O)C(=O)NOCC1CCCC1
InChIInChI=1S/C12H20N2O4/c13-10(7-15)5-6-11(16)12(17)14-18-8-9-3-1-2-4-9/h7,9-10H,1-6,8,13H2,(H,14,17)/t10-/m0/s1
InChIKeyKHVIFBCDXCQOGI-JTQLQIEISA-N
MW256.30 g/mol
LogP0.10
Rot. Bonds8

About (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide

(5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide (PubChem CID 142393555) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide.

Molecular Properties

Compound Name(5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide
PubChem CID142393555
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide
SMILESN[C@H](C=O)CCC(=O)C(=O)NOCC1CCCC1
InChIInChI=1S/C12H20N2O4/c13-10(7-15)5-6-11(16)12(17)14-18-8-9-3-1-2-4-9/h7,9-10H,1-6,8,13H2,(H,14,17)/t10-/m0/s1
InChIKeyKHVIFBCDXCQOGI-JTQLQIEISA-N
XLogP0.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide 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

(2R)-2-amino-3-cyclopentylpropanal
CID 54251321
N-(cyclopentylmethoxy)formamide
CID 23090322
cyclohexylmethyl 2-oxoacetate
CID 174782114
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244
8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid
CID 163617790
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818
cyclopentylmethyl 2-aminobutanoate
CID 66322645

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide?
The IUPAC name of (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide (CID 142393555) is (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide.
What is the SMILES notation for (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide?
The canonical SMILES for (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide is N[C@H](C=O)CCC(=O)C(=O)NOCC1CCCC1.
What is the InChIKey of (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide?
The InChIKey is KHVIFBCDXCQOGI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O4/c13-10(7-15)5-6-11(16)12(17)14-18-8-9-3-1-2-4-9/h7,9-10H,1-6,8,13H2,(H,14,17)/t10-/m0/s1.
What are the key properties of (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide?
(5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide has a molecular weight of 256.30 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-N-(cyclopentylmethoxy)-2,6-dioxohexanamide is sourced from PubChem (CID 142393555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).