4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

C12H24N2O4 — CID 66002009

IUPAC4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC(C)N(CC)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-9(3)14(6-2)11(17)13-8-12(4,18)7-10(15)16/h9,18H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyFBMUBEORMHRWIB-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.04
Rot. Bonds7

About 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002009) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66002009
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC(C)N(CC)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-9(3)14(6-2)11(17)13-8-12(4,18)7-10(15)16/h9,18H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyFBMUBEORMHRWIB-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid (CID 66002009) is 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid is CCC(C)N(CC)C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is FBMUBEORMHRWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-9(3)14(6-2)11(17)13-8-12(4,18)7-10(15)16/h9,18H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).