cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate

C10H12CoN2O5 — CID 11500383

IUPACcobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate
SMILESNC(=O)[C@@H](N)Cc1ccc([O-])cc1.O=C([O-])O.[Co+2]
InChIInChI=1S/C9H12N2O2.CH2O3.Co/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;2-1(3)4;/h1-4,8,12H,5,10H2,(H2,11,13);(H2,2,3,4);/q;;+2/p-2/t8-;;/m0../s1
InChIKeyZTXAREHHSFWKCL-JZGIKJSDSA-L
MW299.15 g/mol
LogP-2.00
Rot. Bonds3

About cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate

cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate (PubChem CID 11500383) has the molecular formula C10H12CoN2O5 and a molecular weight of 299.15 g/mol. Its IUPAC name is cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate.

Molecular Properties

Compound Namecobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate
PubChem CID11500383
Molecular FormulaC10H12CoN2O5
Molecular Weight299.15 g/mol
Exact Mass299.01
IUPAC Namecobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate
SMILESNC(=O)[C@@H](N)Cc1ccc([O-])cc1.O=C([O-])O.[Co+2]
InChIInChI=1S/C9H12N2O2.CH2O3.Co/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;2-1(3)4;/h1-4,8,12H,5,10H2,(H2,11,13);(H2,2,3,4);/q;;+2/p-2/t8-;;/m0../s1
InChIKeyZTXAREHHSFWKCL-JZGIKJSDSA-L
XLogP-2.00
TPSA152.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
bis(2-amino-3-(4-hydroxyphenyl)propanamide);2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 67902185
[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
CID 16740996
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanamide
CID 67854900
2-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313
(2S)-2-amino-3-(4-trimethylsilyloxyphenyl)propanamide
CID 167723544
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
[4-(2,3-diamino-3-oxopropyl)phenyl] hydrogen phosphate
CID 59010907
[4-[(2S)-2,3-diamino-3-oxopropyl]phenyl] trifluoromethanesulfonate
CID 175201724

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate?
The IUPAC name of cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate (CID 11500383) is cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate.
What is the SMILES notation for cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate?
The canonical SMILES for cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate is NC(=O)[C@@H](N)Cc1ccc([O-])cc1.O=C([O-])O.[Co+2].
What is the InChIKey of cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate?
The InChIKey is ZTXAREHHSFWKCL-JZGIKJSDSA-L. The full InChI is InChI=1S/C9H12N2O2.CH2O3.Co/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;2-1(3)4;/h1-4,8,12H,5,10H2,(H2,11,13);(H2,2,3,4);/q;;+2/p-2/t8-;;/m0../s1.
What are the key properties of cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate?
cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate has a molecular weight of 299.15 g/mol, XLogP of -2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate is sourced from PubChem (CID 11500383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).