CID 135037216

C5H10NO2 — CID 135037216

IUPAC—
SMILESCCOC(=O)CC[NH]
InChIInChI=1S/C5H10NO2/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
InChIKeyQFUIMUCJKWKVKP-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.22
Rot. Bonds3

About CID 135037216

CID 135037216 (PubChem CID 135037216) has the molecular formula C5H10NO2 and a molecular weight of 116.14 g/mol.

Molecular Properties

Compound NameCID 135037216
PubChem CID135037216
Molecular FormulaC5H10NO2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name—
SMILESCCOC(=O)CC[NH]
InChIInChI=1S/C5H10NO2/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
InChIKeyQFUIMUCJKWKVKP-UHFFFAOYSA-N
XLogP0.22
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
ethyl 3-sulfanylpropanoate
CID 21625
ethyl 3-iodopropanoate
CID 10911297
CID 88852626
CID 88852626
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 3-silylpropanoate
CID 123980878
CID 136749907
CID 136749907
CID 88807470
CID 88807470

Frequently Asked Questions

What is the IUPAC name of CID 135037216?
The IUPAC name of CID 135037216 (CID 135037216) is not available.
What is the SMILES notation for CID 135037216?
The canonical SMILES for CID 135037216 is CCOC(=O)CC[NH].
What is the InChIKey of CID 135037216?
The InChIKey is QFUIMUCJKWKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3.
What are the key properties of CID 135037216?
CID 135037216 has a molecular weight of 116.14 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135037216 is sourced from PubChem (CID 135037216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).