CID 175808043

C7H14NaO3 — CID 175808043

IUPAC—
SMILESCCCOC(=O)C(O)CC.[Na]
InChIInChI=1S/C7H14O3.Na/c1-3-5-10-7(9)6(8)4-2;/h6,8H,3-5H2,1-2H3;
InChIKeyFLYPVPWLINGYBU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.33
Rot. Bonds4

About CID 175808043

CID 175808043 (PubChem CID 175808043) has the molecular formula C7H14NaO3 and a molecular weight of 169.18 g/mol.

Molecular Properties

Compound NameCID 175808043
PubChem CID175808043
Molecular FormulaC7H14NaO3
Molecular Weight169.18 g/mol
Exact Mass169.08
IUPAC Name—
SMILESCCCOC(=O)C(O)CC.[Na]
InChIInChI=1S/C7H14O3.Na/c1-3-5-10-7(9)6(8)4-2;/h6,8H,3-5H2,1-2H3;
InChIKeyFLYPVPWLINGYBU-UHFFFAOYSA-N
XLogP0.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxybutanoate
CID 521365
propyl 4-bromo-2-hydroxybutanoate
CID 54121081
3-methylbutyl 2-hydroxybutanoate
CID 14923813
dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
dipropyl 2-hydroxypentanedioate
CID 141161532
3-oxoheptyl 2-hydroxybutanoate
CID 174877989
propyl (2R)-2-methylbutanoate
CID 86306230
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
2-hydroxy-3-oxo-3-propoxypropanoic acid
CID 21477330
propyl 2-chloro-3-hydroxypentanoate
CID 23372234
dipropyl 2,3-diiodobutanedioate
CID 87640369

Frequently Asked Questions

What is the IUPAC name of CID 175808043?
The IUPAC name of CID 175808043 (CID 175808043) is not available.
What is the SMILES notation for CID 175808043?
The canonical SMILES for CID 175808043 is CCCOC(=O)C(O)CC.[Na].
What is the InChIKey of CID 175808043?
The InChIKey is FLYPVPWLINGYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.Na/c1-3-5-10-7(9)6(8)4-2;/h6,8H,3-5H2,1-2H3;.
What are the key properties of CID 175808043?
CID 175808043 has a molecular weight of 169.18 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175808043 is sourced from PubChem (CID 175808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).