1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid

C8H20N2O3 — CID 87204764

IUPAC1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCC(N)N(C)C
InChIInChI=1S/C5H14N2.C3H6O3/c1-4-5(6)7(2)3;1-2(4)3(5)6/h5H,4,6H2,1-3H3;2,4H,1H3,(H,5,6)
InChIKeyIAOSKEZBSLTZDE-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.31
Rot. Bonds3

About 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid

1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid (PubChem CID 87204764) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid.

Molecular Properties

Compound Name1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid
PubChem CID87204764
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCC(N)N(C)C
InChIInChI=1S/C5H14N2.C3H6O3/c1-4-5(6)7(2)3;1-2(4)3(5)6/h5H,4,6H2,1-3H3;2,4H,1H3,(H,5,6)
InChIKeyIAOSKEZBSLTZDE-UHFFFAOYSA-N
XLogP-0.31
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
2-hydroxypropanoic acid
CID 87075455
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
2-hydroxypropanoic acid;propanoic acid
CID 175004384
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid?
The IUPAC name of 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid (CID 87204764) is 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid.
What is the SMILES notation for 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid?
The canonical SMILES for 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid is CC(O)C(=O)O.CCC(N)N(C)C.
What is the InChIKey of 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid?
The InChIKey is IAOSKEZBSLTZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C3H6O3/c1-4-5(6)7(2)3;1-2(4)3(5)6/h5H,4,6H2,1-3H3;2,4H,1H3,(H,5,6).
What are the key properties of 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid?
1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid has a molecular weight of 192.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid is sourced from PubChem (CID 87204764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).