azane;2-hydroxypropanoic acid;oxotitanium

C3H9NO4Ti — CID 175450174

IUPACazane;2-hydroxypropanoic acid;oxotitanium
SMILESCC(O)C(=O)O.N.O=[Ti]
InChIInChI=1S/C3H6O3.H3N.O.Ti/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);1H3;;
InChIKeyDVFCSYKEBWKODJ-UHFFFAOYSA-N
MW170.97 g/mol
LogP-0.51
Rot. Bonds1

About azane;2-hydroxypropanoic acid;oxotitanium

azane;2-hydroxypropanoic acid;oxotitanium (PubChem CID 175450174) has the molecular formula C3H9NO4Ti and a molecular weight of 170.97 g/mol. Its IUPAC name is azane;2-hydroxypropanoic acid;oxotitanium.

Molecular Properties

Compound Nameazane;2-hydroxypropanoic acid;oxotitanium
PubChem CID175450174
Molecular FormulaC3H9NO4Ti
Molecular Weight170.97 g/mol
Exact Mass171.00
IUPAC Nameazane;2-hydroxypropanoic acid;oxotitanium
SMILESCC(O)C(=O)O.N.O=[Ti]
InChIInChI=1S/C3H6O3.H3N.O.Ti/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);1H3;;
InChIKeyDVFCSYKEBWKODJ-UHFFFAOYSA-N
XLogP-0.51
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.97
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
2-hydroxypropanoic acid
CID 87075455
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805
CID 129137181
CID 129137181
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropanoic acid;oxotitanium?
The IUPAC name of azane;2-hydroxypropanoic acid;oxotitanium (CID 175450174) is azane;2-hydroxypropanoic acid;oxotitanium.
What is the SMILES notation for azane;2-hydroxypropanoic acid;oxotitanium?
The canonical SMILES for azane;2-hydroxypropanoic acid;oxotitanium is CC(O)C(=O)O.N.O=[Ti].
What is the InChIKey of azane;2-hydroxypropanoic acid;oxotitanium?
The InChIKey is DVFCSYKEBWKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.H3N.O.Ti/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);1H3;;.
What are the key properties of azane;2-hydroxypropanoic acid;oxotitanium?
azane;2-hydroxypropanoic acid;oxotitanium has a molecular weight of 170.97 g/mol, XLogP of -0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropanoic acid;oxotitanium is sourced from PubChem (CID 175450174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).