2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid

C12H19NO3 — CID 61013571

IUPAC2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)C1CC1
InChIInChI=1S/C12H19NO3/c14-11(9-6-7-9)13-10(12(15)16)8-4-2-1-3-5-8/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyFLDMSZOFMPYGOT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds4

About 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid

2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid (PubChem CID 61013571) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid
PubChem CID61013571
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)C1CC1
InChIInChI=1S/C12H19NO3/c14-11(9-6-7-9)13-10(12(15)16)8-4-2-1-3-5-8/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyFLDMSZOFMPYGOT-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid (CID 61013571) is 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid is O=C(NC(C(=O)O)C1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid?
The InChIKey is FLDMSZOFMPYGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(9-6-7-9)13-10(12(15)16)8-4-2-1-3-5-8/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid?
2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid is sourced from PubChem (CID 61013571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).