5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid

C12H20N2O4 — CID 43371300

IUPAC5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CCCC1
InChIInChI=1S/C12H20N2O4/c15-10(6-3-7-11(16)17)14-12(18)13-8-9-4-1-2-5-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18)
InChIKeyNCYUXTJPDJPWPM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.26
Rot. Bonds6

About 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid

5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 43371300) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID43371300
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CCCC1
InChIInChI=1S/C12H20N2O4/c15-10(6-3-7-11(16)17)14-12(18)13-8-9-4-1-2-5-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18)
InChIKeyNCYUXTJPDJPWPM-UHFFFAOYSA-N
XLogP1.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 55013418
5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 62132707
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682016
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447348
5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 43533623
5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid (CID 43371300) is 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is NCYUXTJPDJPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(6-3-7-11(16)17)14-12(18)13-8-9-4-1-2-5-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid?
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43371300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).