acetylene;diethyl 2-aminopentanedioate;methane

C14H25NO4 — CID 174943147

IUPACacetylene;diethyl 2-aminopentanedioate;methane
SMILESC.C#C.C#C.CCOC(=O)CCC(N)C(=O)OCC
InChIInChI=1S/C9H17NO4.2C2H2.CH4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;2*1-2;/h7H,3-6,10H2,1-2H3;2*1-2H;1H4
InChIKeyMTQPFICLKCUBIT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.36
Rot. Bonds6

About acetylene;diethyl 2-aminopentanedioate;methane

acetylene;diethyl 2-aminopentanedioate;methane (PubChem CID 174943147) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is acetylene;diethyl 2-aminopentanedioate;methane.

Molecular Properties

Compound Nameacetylene;diethyl 2-aminopentanedioate;methane
PubChem CID174943147
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameacetylene;diethyl 2-aminopentanedioate;methane
SMILESC.C#C.C#C.CCOC(=O)CCC(N)C(=O)OCC
InChIInChI=1S/C9H17NO4.2C2H2.CH4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;2*1-2;/h7H,3-6,10H2,1-2H3;2*1-2H;1H4
InChIKeyMTQPFICLKCUBIT-UHFFFAOYSA-N
XLogP1.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetylene;diethyl 2-aminopentanedioate;methane 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

5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
CID 91975022
bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
CID 175609456
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 2-(1-aminoethyl)pentanedioate
CID 166437194
disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
CID 175609455
ethyl 4-amino-5-fluoropentanoate
CID 13477556
ethyl 5-amino-4-methyloctanoate
CID 174963331
dibutyl (2S)-2-aminopentanedioate;hydrochloride
CID 13126106
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294

Frequently Asked Questions

What is the IUPAC name of acetylene;diethyl 2-aminopentanedioate;methane?
The IUPAC name of acetylene;diethyl 2-aminopentanedioate;methane (CID 174943147) is acetylene;diethyl 2-aminopentanedioate;methane.
What is the SMILES notation for acetylene;diethyl 2-aminopentanedioate;methane?
The canonical SMILES for acetylene;diethyl 2-aminopentanedioate;methane is C.C#C.C#C.CCOC(=O)CCC(N)C(=O)OCC.
What is the InChIKey of acetylene;diethyl 2-aminopentanedioate;methane?
The InChIKey is MTQPFICLKCUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.2C2H2.CH4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;2*1-2;/h7H,3-6,10H2,1-2H3;2*1-2H;1H4.
What are the key properties of acetylene;diethyl 2-aminopentanedioate;methane?
acetylene;diethyl 2-aminopentanedioate;methane has a molecular weight of 271.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;diethyl 2-aminopentanedioate;methane is sourced from PubChem (CID 174943147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).