2-(cyclohexylcarbamoylamino)acetic acid

C9H16N2O3 — CID 4149241

IUPAC2-(cyclohexylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
InChIKeyNVORCMBCUHQRDL-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds3

About 2-(cyclohexylcarbamoylamino)acetic acid

2-(cyclohexylcarbamoylamino)acetic acid (PubChem CID 4149241) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)acetic acid
PubChem CID4149241
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(cyclohexylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
InChIKeyNVORCMBCUHQRDL-UHFFFAOYSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)acetic acid?
The IUPAC name of 2-(cyclohexylcarbamoylamino)acetic acid (CID 4149241) is 2-(cyclohexylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)acetic acid?
The InChIKey is NVORCMBCUHQRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(cyclohexylcarbamoylamino)acetic acid?
2-(cyclohexylcarbamoylamino)acetic acid has a molecular weight of 200.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)acetic acid is sourced from PubChem (CID 4149241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).