(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid

C11H19N3O6 — CID 107827068

IUPAC(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCCOC(=O)CN(CC)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-3-14(6-9(16)20-4-2)11(19)13-7(10(17)18)5-8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,19)(H,17,18)/t7-/m1/s1
InChIKeyOOXOIFQBHIDNSD-SSDOTTSWSA-N
MW289.29 g/mol
LogP-1.09
Rot. Bonds8

About (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid

(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid (PubChem CID 107827068) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
PubChem CID107827068
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCCOC(=O)CN(CC)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-3-14(6-9(16)20-4-2)11(19)13-7(10(17)18)5-8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,19)(H,17,18)/t7-/m1/s1
InChIKeyOOXOIFQBHIDNSD-SSDOTTSWSA-N
XLogP-1.09
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826733
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
(2R)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005659
(2S)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63955055
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
CID 82002217
4-amino-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61193149
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid (CID 107827068) is (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid is CCOC(=O)CN(CC)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is OOXOIFQBHIDNSD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-3-14(6-9(16)20-4-2)11(19)13-7(10(17)18)5-8(12)15/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,19)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 289.29 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107827068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).