(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid

C11H20N2O4 — CID 79010158

IUPAC(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
SMILESCC(C)[C@@H](NC(=O)NC1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-8-3-5-17-6-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1
InChIKeyFHBJLVBFOVVHHJ-SECBINFHSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds4

About (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid

(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid (PubChem CID 79010158) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
PubChem CID79010158
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
SMILESCC(C)[C@@H](NC(=O)NC1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-8-3-5-17-6-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1
InChIKeyFHBJLVBFOVVHHJ-SECBINFHSA-N
XLogP0.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
(2S)-3-methyl-2-[(2-methyloxan-4-yl)carbamoylamino]butanoic acid
CID 113364577
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-3-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]butanoic acid
CID 79010218
(2R)-3-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79009869
methyl 2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 5218445
methyl (2S)-2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 944987
1-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(oxan-4-yl)urea
CID 129370926
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid (CID 79010158) is (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid is CC(C)[C@@H](NC(=O)NC1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid?
The InChIKey is FHBJLVBFOVVHHJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-8-3-5-17-6-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid?
(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 79010158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).