(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid

C11H20N2O5 — CID 104874054

IUPAC(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
SMILESCCC(CC)CNC(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-7(4-2)6-12-11(18)13-8(10(16)17)5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyHGIPKBLCWXMQGM-MRVPVSSYSA-N
MW260.29 g/mol
LogP0.65
Rot. Bonds8

About (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid

(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid (PubChem CID 104874054) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
PubChem CID104874054
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
SMILESCCC(CC)CNC(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-7(4-2)6-12-11(18)13-8(10(16)17)5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyHGIPKBLCWXMQGM-MRVPVSSYSA-N
XLogP0.65
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098
(2R)-2-(2-ethylhexylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 107817476
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
CID 83114385
3-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 114004348
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[(2-methylprop-2-enylcarbamoylamino)methyl]pentanoic acid
CID 114618121
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
3-[(3-methylbutylcarbamoylamino)methyl]pentanoic acid
CID 81072494
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid?
The IUPAC name of (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid (CID 104874054) is (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid.
What is the SMILES notation for (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid?
The canonical SMILES for (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid is CCC(CC)CNC(=O)N[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid?
The InChIKey is HGIPKBLCWXMQGM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-7(4-2)6-12-11(18)13-8(10(16)17)5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,18)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid?
(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid has a molecular weight of 260.29 g/mol, XLogP of 0.65, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid is sourced from PubChem (CID 104874054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).