2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid

C12H22N2O4 — CID 106110630

IUPAC2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCC1CCC(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-3-4-9(5-8)6-13-12(17)14-7-10(18-2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyIPDVCJZVZTYYOF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.82
Rot. Bonds6

About 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid

2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid (PubChem CID 106110630) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
PubChem CID106110630
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCC1CCC(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-3-4-9(5-8)6-13-12(17)14-7-10(18-2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyIPDVCJZVZTYYOF-UHFFFAOYSA-N
XLogP0.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[(3-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 106110718
2-methoxy-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 114144666
2-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 106110039
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
CID 106110354
3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
CID 112753142
2-methoxy-3-(thian-2-ylmethylcarbamoylamino)propanoic acid
CID 114144741
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid (CID 106110630) is 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid is COC(CNC(=O)NCC1CCC(C)C1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The InChIKey is IPDVCJZVZTYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-3-4-9(5-8)6-13-12(17)14-7-10(18-2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).