2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid

C13H24N2O5 — CID 61470498

IUPAC2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCC(C)CCCC(C)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(2)5-4-6-10(3)14-13(19)15-11(16)7-20-8-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyZCKANFKVTVQYRU-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.13
Rot. Bonds9

About 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 61470498) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID61470498
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCC(C)CCCC(C)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(2)5-4-6-10(3)14-13(19)15-11(16)7-20-8-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyZCKANFKVTVQYRU-UHFFFAOYSA-N
XLogP1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499
2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477618
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
3-chloro-N-(6-methylheptan-2-ylcarbamoyl)propanamide
CID 54952807
2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 65300238
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61460963
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
1-methoxy-3-[(2S)-6-methylheptan-2-yl]urea
CID 97014465
2-[2-(hex-5-yn-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 61470498) is 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid is CC(C)CCCC(C)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is ZCKANFKVTVQYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(2)5-4-6-10(3)14-13(19)15-11(16)7-20-8-12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid has a molecular weight of 288.34 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61470498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).