2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid

C14H23N3O3 — CID 64702253

IUPAC2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCN(CC(C)C#N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H23N3O3/c1-3-17(10-11(2)9-15)13(20)16-14(8-12(18)19)6-4-5-7-14/h11H,3-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVALRENJFOLDLEB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.97
Rot. Bonds6

About 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64702253) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64702253
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCN(CC(C)C#N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H23N3O3/c1-3-17(10-11(2)9-15)13(20)16-14(8-12(18)19)6-4-5-7-14/h11H,3-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVALRENJFOLDLEB-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851694
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
3-tert-butyl-1-(2-cyanopropyl)-1-ethylurea
CID 55028671
2-[1-[[2-methoxypropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 112754573

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64702253) is 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid is CCN(CC(C)C#N)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is VALRENJFOLDLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-17(10-11(2)9-15)13(20)16-14(8-12(18)19)6-4-5-7-14/h11H,3-8,10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).