3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid

C11H20N2O4 — CID 66167145

IUPAC3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)NC1CCCCCC1
InChIInChI=1S/C11H20N2O4/c14-9(10(15)16)7-12-11(17)13-8-5-3-1-2-4-6-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)
InChIKeyXIYUIACKYYZEEH-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds4

About 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid

3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid (PubChem CID 66167145) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
PubChem CID66167145
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)NC1CCCCCC1
InChIInChI=1S/C11H20N2O4/c14-9(10(15)16)7-12-11(17)13-8-5-3-1-2-4-6-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)
InChIKeyXIYUIACKYYZEEH-UHFFFAOYSA-N
XLogP0.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
CID 66164936
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237441
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
CID 107839920

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid (CID 66167145) is 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)NC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid?
The InChIKey is XIYUIACKYYZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-9(10(15)16)7-12-11(17)13-8-5-3-1-2-4-6-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17).
What are the key properties of 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid?
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66167145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).