2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid

C12H23N3O5 — CID 63646436

IUPAC2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
SMILESCN(C)CC(C)(C)CNC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H23N3O5/c1-12(2,8-14(3)4)7-13-11(20)15(5-9(16)17)6-10(18)19/h5-8H2,1-4H3,(H,13,20)(H,16,17)(H,18,19)
InChIKeySKAJGNINPXAVSP-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.25
Rot. Bonds8

About 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid

2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid (PubChem CID 63646436) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
PubChem CID63646436
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
SMILESCN(C)CC(C)(C)CNC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H23N3O5/c1-12(2,8-14(3)4)7-13-11(20)15(5-9(16)17)6-10(18)19/h5-8H2,1-4H3,(H,13,20)(H,16,17)(H,18,19)
InChIKeySKAJGNINPXAVSP-UHFFFAOYSA-N
XLogP-0.25
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
CID 104624160
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 61182248
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812631
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63645928
2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103463265
2-[[2-(dimethylamino)-2-methylpropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266284
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
CID 63858308

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid (CID 63646436) is 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid is CN(C)CC(C)(C)CNC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
The InChIKey is SKAJGNINPXAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-12(2,8-14(3)4)7-13-11(20)15(5-9(16)17)6-10(18)19/h5-8H2,1-4H3,(H,13,20)(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid?
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 63646436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).