2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid

C10H18N2O5 — CID 106110707

IUPAC2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
SMILESCOC1CC(NC(=O)NCC(OC)C(=O)O)C1
InChIInChI=1S/C10H18N2O5/c1-16-7-3-6(4-7)12-10(15)11-5-8(17-2)9(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyHPYQVYDINPWHTO-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.44
Rot. Bonds6

About 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid

2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid (PubChem CID 106110707) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
PubChem CID106110707
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
SMILESCOC1CC(NC(=O)NCC(OC)C(=O)O)C1
InChIInChI=1S/C10H18N2O5/c1-16-7-3-6(4-7)12-10(15)11-5-8(17-2)9(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyHPYQVYDINPWHTO-UHFFFAOYSA-N
XLogP-0.44
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-3-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 106110385
2-Methoxy-3-(4,4,4-trifluorobutan-2-ylcarbamoylamino)propanoic acid
CID 106110721
2-Methoxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 114144662
2-Methoxy-3-(4,4,4-trifluorobutylcarbamoylamino)propanoic acid
CID 114144746
3-[[(2-Hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]butanoic acid
CID 54999175
4-(Propan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 61735770
4-(Pentan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 61736045
4-(1-Methoxypropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 61736435
4-(Butylcarbamoyl)morpholine-2-carboxylic acid
CID 61736951
4-[4-(Dimethylamino)butan-2-ylcarbamoyl]morpholine-2-carboxylic acid
CID 61737050
4-(Butan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 61737417
4-(Pentan-3-ylcarbamoyl)morpholine-2-carboxylic acid
CID 61737615

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid (CID 106110707) is 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid is COC1CC(NC(=O)NCC(OC)C(=O)O)C1.
What is the InChIKey of 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid?
The InChIKey is HPYQVYDINPWHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-16-7-3-6(4-7)12-10(15)11-5-8(17-2)9(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid?
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 106110707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).