dodecyl (2S)-2-aminopropanoate;oxalic acid

C17H33NO6 — CID 88810980

IUPACdodecyl (2S)-2-aminopropanoate;oxalic acid
SMILESCCCCCCCCCCCCOC(=O)[C@H](C)N.O=C(O)C(=O)O
InChIInChI=1S/C15H31NO2.C2H2O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;3-1(4)2(5)6/h14H,3-13,16H2,1-2H3;(H,3,4)(H,5,6)/t14-;/m0./s1
InChIKeyYXDXXQPMINKHBQ-UQKRIMTDSA-N
MW347.45 g/mol
LogP2.95
Rot. Bonds12

About dodecyl (2S)-2-aminopropanoate;oxalic acid

dodecyl (2S)-2-aminopropanoate;oxalic acid (PubChem CID 88810980) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is dodecyl (2S)-2-aminopropanoate;oxalic acid.

Molecular Properties

Compound Namedodecyl (2S)-2-aminopropanoate;oxalic acid
PubChem CID88810980
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Namedodecyl (2S)-2-aminopropanoate;oxalic acid
SMILESCCCCCCCCCCCCOC(=O)[C@H](C)N.O=C(O)C(=O)O
InChIInChI=1S/C15H31NO2.C2H2O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;3-1(4)2(5)6/h14H,3-13,16H2,1-2H3;(H,3,4)(H,5,6)/t14-;/m0./s1
InChIKeyYXDXXQPMINKHBQ-UQKRIMTDSA-N
XLogP2.95
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dodecyl (2S)-2-aminopropanoate;oxalic 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

heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
sodium;hexadecyl (2S)-2-aminopropanoate;hydride
CID 174388601
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952
heptyl 2-methyl-3-oxobutanoate
CID 176903126
dodecyl 2-amino-3-methylbutanoate
CID 6453804
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
16-methylheptadecyl (2S)-2-aminopropanoate
CID 138561160
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518

Frequently Asked Questions

What is the IUPAC name of dodecyl (2S)-2-aminopropanoate;oxalic acid?
The IUPAC name of dodecyl (2S)-2-aminopropanoate;oxalic acid (CID 88810980) is dodecyl (2S)-2-aminopropanoate;oxalic acid.
What is the SMILES notation for dodecyl (2S)-2-aminopropanoate;oxalic acid?
The canonical SMILES for dodecyl (2S)-2-aminopropanoate;oxalic acid is CCCCCCCCCCCCOC(=O)[C@H](C)N.O=C(O)C(=O)O.
What is the InChIKey of dodecyl (2S)-2-aminopropanoate;oxalic acid?
The InChIKey is YXDXXQPMINKHBQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H31NO2.C2H2O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;3-1(4)2(5)6/h14H,3-13,16H2,1-2H3;(H,3,4)(H,5,6)/t14-;/m0./s1.
What are the key properties of dodecyl (2S)-2-aminopropanoate;oxalic acid?
dodecyl (2S)-2-aminopropanoate;oxalic acid has a molecular weight of 347.45 g/mol, XLogP of 2.95, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2S)-2-aminopropanoate;oxalic acid is sourced from PubChem (CID 88810980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).