2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid

C8H16N2O4 — CID 62338542

IUPAC2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCC(O)CN(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-6(11)4-9(2)8(14)10(3)5-7(12)13/h6,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyYRPQLMQTGACVGG-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.56
Rot. Bonds4

About 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid

2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid (PubChem CID 62338542) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
PubChem CID62338542
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCC(O)CN(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-6(11)4-9(2)8(14)10(3)5-7(12)13/h6,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyYRPQLMQTGACVGG-UHFFFAOYSA-N
XLogP-0.56
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
CID 62337174
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
CID 79470163
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
CID 139777185
4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62335708
2-[[2-cyanoethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43135817

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid (CID 62338542) is 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid is CC(O)CN(C)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is YRPQLMQTGACVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-6(11)4-9(2)8(14)10(3)5-7(12)13/h6,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid?
2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 204.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 62338542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).