(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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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).