CID 59259624

C4H8NO2 — CID 59259624

IUPAC—
SMILESCOC(=O)CC[NH]
InChIInChI=1S/C4H8NO2/c1-7-4(6)2-3-5/h5H,2-3H2,1H3
InChIKeyHVVSOMNWMOTDQE-UHFFFAOYSA-N
MW102.11 g/mol
LogP-0.17
Rot. Bonds2

About CID 59259624

CID 59259624 (PubChem CID 59259624) has the molecular formula C4H8NO2 and a molecular weight of 102.11 g/mol.

Molecular Properties

Compound NameCID 59259624
PubChem CID59259624
Molecular FormulaC4H8NO2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name—
SMILESCOC(=O)CC[NH]
InChIInChI=1S/C4H8NO2/c1-7-4(6)2-3-5/h5H,2-3H2,1H3
InChIKeyHVVSOMNWMOTDQE-UHFFFAOYSA-N
XLogP-0.17
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
chromium;methyl butanoate
CID 174781983
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl butanoate;tetrahydrochloride
CID 173289582
methane;methyl 3-hydroxypropanoate
CID 165023436
methyl 2-bromoacetate
CID 10487067

Frequently Asked Questions

What is the IUPAC name of CID 59259624?
The IUPAC name of CID 59259624 (CID 59259624) is not available.
What is the SMILES notation for CID 59259624?
The canonical SMILES for CID 59259624 is COC(=O)CC[NH].
What is the InChIKey of CID 59259624?
The InChIKey is HVVSOMNWMOTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2/c1-7-4(6)2-3-5/h5H,2-3H2,1H3.
What are the key properties of CID 59259624?
CID 59259624 has a molecular weight of 102.11 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59259624 is sourced from PubChem (CID 59259624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).