3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid

C10H16N2O4 — CID 106110502

IUPAC3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC1CC=CC1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-16-8(9(13)14)6-11-10(15)12-7-4-2-3-5-7/h2-3,7-8H,4-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyJJJGGOMSRDQUOK-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.10
Rot. Bonds5

About 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid

3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid (PubChem CID 106110502) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid
PubChem CID106110502
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC1CC=CC1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-16-8(9(13)14)6-11-10(15)12-7-4-2-3-5-7/h2-3,7-8H,4-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyJJJGGOMSRDQUOK-UHFFFAOYSA-N
XLogP0.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707
3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
CID 112753142
2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
CID 114144760
2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 106110085
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
2-methoxy-3-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
CID 106110254
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid
CID 106110688
2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
CID 106110354
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid (CID 106110502) is 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid is COC(CNC(=O)NC1CC=CC1)C(=O)O.
What is the InChIKey of 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid?
The InChIKey is JJJGGOMSRDQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-16-8(9(13)14)6-11-10(15)12-7-4-2-3-5-7/h2-3,7-8H,4-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid?
3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106110502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).