4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid

C10H17N3O5 — CID 114120290

IUPAC4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOC1CC(NC(=O)NC(CC(N)=O)C(=O)O)C1
InChIInChI=1S/C10H17N3O5/c1-18-6-2-5(3-6)12-10(17)13-7(9(15)16)4-8(11)14/h5-7H,2-4H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyLABIOCSVRLUPEV-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.21
Rot. Bonds6

About 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid

4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 114120290) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID114120290
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOC1CC(NC(=O)NC(CC(N)=O)C(=O)O)C1
InChIInChI=1S/C10H17N3O5/c1-18-6-2-5(3-6)12-10(17)13-7(9(15)16)4-8(11)14/h5-7H,2-4H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyLABIOCSVRLUPEV-UHFFFAOYSA-N
XLogP-1.21
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid
CID 114118253
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
(2S)-4-amino-4-oxo-2-(thian-4-ylcarbamoylamino)butanoic acid
CID 104870671
(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114120347
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208
(2S)-4-amino-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 63998195
(2R)-2-[(3-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 114118286
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid (CID 114120290) is 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid is COC1CC(NC(=O)NC(CC(N)=O)C(=O)O)C1.
What is the InChIKey of 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is LABIOCSVRLUPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-18-6-2-5(3-6)12-10(17)13-7(9(15)16)4-8(11)14/h5-7H,2-4H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid?
4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 114120290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).