(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid

C11H20N2O5 — CID 113353179

IUPAC(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCCOC(=O)CNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-5-18-7(14)6-12-10(17)13-8(9(15)16)11(2,3)4/h8H,5-6H2,1-4H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyGZYYHIXRLDGZHQ-QMMMGPOBSA-N
MW260.29 g/mol
LogP0.35
Rot. Bonds5

About (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 113353179) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID113353179
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCCOC(=O)CNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-5-18-7(14)6-12-10(17)13-8(9(15)16)11(2,3)4/h8H,5-6H2,1-4H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyGZYYHIXRLDGZHQ-QMMMGPOBSA-N
XLogP0.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2R)-2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927781
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
ethyl 2-(2-methylpentan-3-ylcarbamoylamino)acetate
CID 61471057
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
(2R)-2-(3-ethoxypropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113353155
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 103927700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid (CID 113353179) is (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid is CCOC(=O)CNC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is GZYYHIXRLDGZHQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-18-7(14)6-12-10(17)13-8(9(15)16)11(2,3)4/h8H,5-6H2,1-4H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1.
What are the key properties of (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113353179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).