CID 140670852

C16H29N2O4 — CID 140670852

IUPAC—
SMILESC=C(C)C(=O)OCC(O)CNC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C16H29N2O4/c1-11(2)14(20)22-10-13(19)9-17-12-7-15(3,4)18(21)16(5,6)8-12/h12-13,17,19H,1,7-10H2,2-6H3
InChIKeyWJGOJFHTTSNFDK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.42
Rot. Bonds6

About CID 140670852

CID 140670852 (PubChem CID 140670852) has the molecular formula C16H29N2O4 and a molecular weight of 313.42 g/mol.

Molecular Properties

Compound NameCID 140670852
PubChem CID140670852
Molecular FormulaC16H29N2O4
Molecular Weight313.42 g/mol
Exact Mass313.21
IUPAC Name—
SMILESC=C(C)C(=O)OCC(O)CNC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C16H29N2O4/c1-11(2)14(20)22-10-13(19)9-17-12-7-15(3,4)18(21)16(5,6)8-12/h12-13,17,19H,1,7-10H2,2-6H3
InChIKeyWJGOJFHTTSNFDK-UHFFFAOYSA-N
XLogP1.42
TPSA81.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 167132107
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
CID 139935856
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
[3-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-ium-2-yl)oxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 122208021
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567

Frequently Asked Questions

What is the IUPAC name of CID 140670852?
The IUPAC name of CID 140670852 (CID 140670852) is not available.
What is the SMILES notation for CID 140670852?
The canonical SMILES for CID 140670852 is C=C(C)C(=O)OCC(O)CNC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140670852?
The InChIKey is WJGOJFHTTSNFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N2O4/c1-11(2)14(20)22-10-13(19)9-17-12-7-15(3,4)18(21)16(5,6)8-12/h12-13,17,19H,1,7-10H2,2-6H3.
What are the key properties of CID 140670852?
CID 140670852 has a molecular weight of 313.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140670852 is sourced from PubChem (CID 140670852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).