3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid

C10H18N2O4 — CID 62359819

IUPAC3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCCC1O
InChIInChI=1S/C10H18N2O4/c13-8-4-2-1-3-7(8)12-10(16)11-6-5-9(14)15/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)
InChIKeyUNOCXNYJJMFEAD-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.06
Rot. Bonds4

About 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid

3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid (PubChem CID 62359819) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid
PubChem CID62359819
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCCC1O
InChIInChI=1S/C10H18N2O4/c13-8-4-2-1-3-7(8)12-10(16)11-6-5-9(14)15/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)
InChIKeyUNOCXNYJJMFEAD-UHFFFAOYSA-N
XLogP0.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid (CID 62359819) is 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)NC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is UNOCXNYJJMFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-8-4-2-1-3-7(8)12-10(16)11-6-5-9(14)15/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid?
3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 62359819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).