2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid

C14H23N3O3 — CID 64701080

IUPAC2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCC(C)N(CCC#N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H23N3O3/c1-11(2)17(9-5-8-15)13(20)16-14(10-12(18)19)6-3-4-7-14/h11H,3-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIKFFAXBDAYBZGY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64701080) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64701080
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCC(C)N(CCC#N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H23N3O3/c1-11(2)17(9-5-8-15)13(20)16-14(10-12(18)19)6-3-4-7-14/h11H,3-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIKFFAXBDAYBZGY-UHFFFAOYSA-N
XLogP2.11
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846504
2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851694
2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701274
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842467
2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702253
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
CID 64685385
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64701080) is 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid is CC(C)N(CCC#N)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is IKFFAXBDAYBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)17(9-5-8-15)13(20)16-14(10-12(18)19)6-3-4-7-14/h11H,3-7,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).