2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate

C7H19MnNO8 — CID 58773320

IUPAC2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
SMILESCC(O)CN(CC(=O)O)CC(=O)O.O.O.O.[Mn]
InChIInChI=1S/C7H13NO5.Mn.3H2O/c1-5(9)2-8(3-6(10)11)4-7(12)13;;;;/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13);;3*1H2
InChIKeyPGTJORVUBYLDQJ-UHFFFAOYSA-N
MW300.17 g/mol
LogP-3.64
Rot. Bonds6

About 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate

2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate (PubChem CID 58773320) has the molecular formula C7H19MnNO8 and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate.

Molecular Properties

Compound Name2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
PubChem CID58773320
Molecular FormulaC7H19MnNO8
Molecular Weight300.17 g/mol
Exact Mass300.05
IUPAC Name2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
SMILESCC(O)CN(CC(=O)O)CC(=O)O.O.O.O.[Mn]
InChIInChI=1S/C7H13NO5.Mn.3H2O/c1-5(9)2-8(3-6(10)11)4-7(12)13;;;;/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13);;3*1H2
InChIKeyPGTJORVUBYLDQJ-UHFFFAOYSA-N
XLogP-3.64
TPSA192.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 5-3.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
CID 62338542
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
CID 158317116
2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
CID 50897255
1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
CID 163906636
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901716

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate?
The IUPAC name of 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate (CID 58773320) is 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate.
What is the SMILES notation for 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate?
The canonical SMILES for 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate is CC(O)CN(CC(=O)O)CC(=O)O.O.O.O.[Mn].
What is the InChIKey of 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate?
The InChIKey is PGTJORVUBYLDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5.Mn.3H2O/c1-5(9)2-8(3-6(10)11)4-7(12)13;;;;/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13);;3*1H2.
What are the key properties of 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate?
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate has a molecular weight of 300.17 g/mol, XLogP of -3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate is sourced from PubChem (CID 58773320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).