2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid

C11H20N2O5 — CID 104829180

IUPAC2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-7(11(2,3)4)12-10(18)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCUHMJHSBVBPXIS-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.60
Rot. Bonds5

About 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid

2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 104829180) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
PubChem CID104829180
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-7(11(2,3)4)12-10(18)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCUHMJHSBVBPXIS-UHFFFAOYSA-N
XLogP0.60
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 104829242
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 62922822
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid
CID 83018526
2-[3-ethylpentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266133
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 107438288
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid (CID 104829180) is 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid is CC(NC(=O)N(CC(=O)O)CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is CUHMJHSBVBPXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(11(2,3)4)12-10(18)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 104829180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).