CID 131864134

C8H14CaN2O8 — CID 131864134

IUPAC—
SMILESNC(CC(=O)O)C(=O)O.NC(CC(=O)O)C(=O)O.[Ca]
InChIInChI=1S/2C4H7NO4.Ca/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);
InChIKeyREXCGUADDHENOV-UHFFFAOYSA-N
MW306.28 g/mol
LogP-2.63
Rot. Bonds6

About CID 131864134

CID 131864134 (PubChem CID 131864134) has the molecular formula C8H14CaN2O8 and a molecular weight of 306.28 g/mol.

Molecular Properties

Compound NameCID 131864134
PubChem CID131864134
Molecular FormulaC8H14CaN2O8
Molecular Weight306.28 g/mol
Exact Mass306.04
IUPAC Name—
SMILESNC(CC(=O)O)C(=O)O.NC(CC(=O)O)C(=O)O.[Ca]
InChIInChI=1S/2C4H7NO4.Ca/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);
InChIKeyREXCGUADDHENOV-UHFFFAOYSA-N
XLogP-2.63
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 5-2.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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tris((2S)-2-aminobutanedioic acid);phosphane
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azanium (2S)-2-aminobutanedioic acid
CID 10130050
2-aminobutanedioic acid;carbamic acid
CID 87364941
calcium;2-aminobutanedioic acid;hydron
CID 173271568
CID 173060561
CID 173060561
CID 172728144
CID 172728144
(2R)-2-aminobutanedioic acid;zinc;hydrate
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Frequently Asked Questions

What is the IUPAC name of CID 131864134?
The IUPAC name of CID 131864134 (CID 131864134) is not available.
What is the SMILES notation for CID 131864134?
The canonical SMILES for CID 131864134 is NC(CC(=O)O)C(=O)O.NC(CC(=O)O)C(=O)O.[Ca].
What is the InChIKey of CID 131864134?
The InChIKey is REXCGUADDHENOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO4.Ca/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);.
What are the key properties of CID 131864134?
CID 131864134 has a molecular weight of 306.28 g/mol, XLogP of -2.63, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131864134 is sourced from PubChem (CID 131864134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).