CID 170844591

C5H10NaO3 — CID 170844591

IUPAC—
SMILESCC(C)C(O)C(=O)O.[Na]
InChIInChI=1S/C5H10O3.Na/c1-3(2)4(6)5(7)8;/h3-4,6H,1-2H3,(H,7,8);
InChIKeyVSZCOAFRBSMFRW-UHFFFAOYSA-N
MW141.12 g/mol
LogP-0.29
Rot. Bonds2

About CID 170844591

CID 170844591 (PubChem CID 170844591) has the molecular formula C5H10NaO3 and a molecular weight of 141.12 g/mol.

Molecular Properties

Compound NameCID 170844591
PubChem CID170844591
Molecular FormulaC5H10NaO3
Molecular Weight141.12 g/mol
Exact Mass141.05
IUPAC Name—
SMILESCC(C)C(O)C(=O)O.[Na]
InChIInChI=1S/C5H10O3.Na/c1-3(2)4(6)5(7)8;/h3-4,6H,1-2H3,(H,7,8);
InChIKeyVSZCOAFRBSMFRW-UHFFFAOYSA-N
XLogP-0.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
CID 141142510
CID 129137181
CID 129137181
(2R,3S)-3-amino-2-hydroxy-4-methylpentanoic acid
CID 11701056
(3S)-3-amino-2-hydroxy-4-methylpentanoic acid
CID 14503313
CID 158639936
CID 158639936
2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 71336736
(2S,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665341
(2R,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665346

Frequently Asked Questions

What is the IUPAC name of CID 170844591?
The IUPAC name of CID 170844591 (CID 170844591) is not available.
What is the SMILES notation for CID 170844591?
The canonical SMILES for CID 170844591 is CC(C)C(O)C(=O)O.[Na].
What is the InChIKey of CID 170844591?
The InChIKey is VSZCOAFRBSMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.Na/c1-3(2)4(6)5(7)8;/h3-4,6H,1-2H3,(H,7,8);.
What are the key properties of CID 170844591?
CID 170844591 has a molecular weight of 141.12 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170844591 is sourced from PubChem (CID 170844591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).