3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid

C10H18N2O4 — CID 106108236

IUPAC3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(9(13)14)6-11-10(15)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyIGHKARMLIHZMCL-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds5

About 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid

3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid (PubChem CID 106108236) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
PubChem CID106108236
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(9(13)14)6-11-10(15)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyIGHKARMLIHZMCL-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
CID 112753142
3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110502
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707
2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
CID 114144760
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
2-methoxy-3-(thian-2-ylmethylcarbamoylamino)propanoic acid
CID 114144741
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
CID 106107998

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid (CID 106108236) is 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid is COC(CNC(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid?
The InChIKey is IGHKARMLIHZMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-8(9(13)14)6-11-10(15)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid?
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106108236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).