(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid

C12H22N2O4 — CID 114120347

IUPAC(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCOC1CC(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)9(10(15)16)14-11(17)13-7-5-8(6-7)18-4/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,13,14,17)/t7?,8?,9-/m0/s1
InChIKeyAZDQVRRGNKXUFT-HACHORDNSA-N
MW258.32 g/mol
LogP0.96
Rot. Bonds4

About (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 114120347) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID114120347
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCOC1CC(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)9(10(15)16)14-11(17)13-7-5-8(6-7)18-4/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,13,14,17)/t7?,8?,9-/m0/s1
InChIKeyAZDQVRRGNKXUFT-HACHORDNSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
CID 114120290
(2S)-3,3-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 63661261
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
N-(3-methoxycyclobutyl)-2,2-dimethylpropanamide
CID 104578372
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103928209
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid (CID 114120347) is (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid is COC1CC(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1.
What is the InChIKey of (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is AZDQVRRGNKXUFT-HACHORDNSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)9(10(15)16)14-11(17)13-7-5-8(6-7)18-4/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,13,14,17)/t7?,8?,9-/m0/s1.
What are the key properties of (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 114120347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).