1-carbamoyladamantane-2-carboxylic acid

C12H17NO3 — CID 90958779

IUPAC1-carbamoyladamantane-2-carboxylic acid
SMILESNC(=O)C12CC3CC(CC(C3)C1C(=O)O)C2
InChIInChI=1S/C12H17NO3/c13-11(16)12-4-6-1-7(5-12)3-8(2-6)9(12)10(14)15/h6-9H,1-5H2,(H2,13,16)(H,14,15)
InChIKeyYDNXNLQDLYIAJA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds2

About 1-carbamoyladamantane-2-carboxylic acid

1-carbamoyladamantane-2-carboxylic acid (PubChem CID 90958779) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-carbamoyladamantane-2-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyladamantane-2-carboxylic acid
PubChem CID90958779
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-carbamoyladamantane-2-carboxylic acid
SMILESNC(=O)C12CC3CC(CC(C3)C1C(=O)O)C2
InChIInChI=1S/C12H17NO3/c13-11(16)12-4-6-1-7(5-12)3-8(2-6)9(12)10(14)15/h6-9H,1-5H2,(H2,13,16)(H,14,15)
InChIKeyYDNXNLQDLYIAJA-UHFFFAOYSA-N
XLogP1.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyladamantane-2-carboxylic acid?
The IUPAC name of 1-carbamoyladamantane-2-carboxylic acid (CID 90958779) is 1-carbamoyladamantane-2-carboxylic acid.
What is the SMILES notation for 1-carbamoyladamantane-2-carboxylic acid?
The canonical SMILES for 1-carbamoyladamantane-2-carboxylic acid is NC(=O)C12CC3CC(CC(C3)C1C(=O)O)C2.
What is the InChIKey of 1-carbamoyladamantane-2-carboxylic acid?
The InChIKey is YDNXNLQDLYIAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-11(16)12-4-6-1-7(5-12)3-8(2-6)9(12)10(14)15/h6-9H,1-5H2,(H2,13,16)(H,14,15).
What are the key properties of 1-carbamoyladamantane-2-carboxylic acid?
1-carbamoyladamantane-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyladamantane-2-carboxylic acid is sourced from PubChem (CID 90958779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).