5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid

C12H21NO4 — CID 62551468

IUPAC5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H21NO4/c14-9-12(7-2-1-3-8-12)13-10(15)5-4-6-11(16)17/h14H,1-9H2,(H,13,15)(H,16,17)
InChIKeyGRZGGZGPYQPGOL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.05
Rot. Bonds6

About 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid

5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid (PubChem CID 62551468) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid
PubChem CID62551468
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H21NO4/c14-9-12(7-2-1-3-8-12)13-10(15)5-4-6-11(16)17/h14H,1-9H2,(H,13,15)(H,16,17)
InChIKeyGRZGGZGPYQPGOL-UHFFFAOYSA-N
XLogP1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid (CID 62551468) is 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC1(CO)CCCCC1.
What is the InChIKey of 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid?
The InChIKey is GRZGGZGPYQPGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-9-12(7-2-1-3-8-12)13-10(15)5-4-6-11(16)17/h14H,1-9H2,(H,13,15)(H,16,17).
What are the key properties of 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid?
5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(hydroxymethyl)cyclohexyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 62551468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).