3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid

C12H22N2O5 — CID 112753142

IUPAC3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-19-10(11(16)17)6-13-12(18)14-9-4-2-8(7-15)3-5-9/h8-10,15H,2-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyDNYKOZAPXMAIJK-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.06
Rot. Bonds6

About 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid

3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid (PubChem CID 112753142) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
PubChem CID112753142
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-19-10(11(16)17)6-13-12(18)14-9-4-2-8(7-15)3-5-9/h8-10,15H,2-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyDNYKOZAPXMAIJK-UHFFFAOYSA-N
XLogP-0.06
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707
3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110502
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
CID 114144760
2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
4-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-3-methylbutanoic acid
CID 112753148
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 75425944
1-(2,2-dimethoxyethyl)-3-piperidin-4-ylurea
CID 141131312
2-[[(4-ethylcyclohexyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65223787
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
2-methoxy-3-[(3-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 106110718

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid (CID 112753142) is 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)NC1CCC(CO)CC1)C(=O)O.
What is the InChIKey of 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is DNYKOZAPXMAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-19-10(11(16)17)6-13-12(18)14-9-4-2-8(7-15)3-5-9/h8-10,15H,2-7H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid?
3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 112753142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).