2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid

C14H23N3O3 — CID 79851694

IUPAC2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)CN(CCC#N)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H23N3O3/c1-11(2)10-17(8-4-7-15)13(20)16-14(5-3-6-14)9-12(18)19/h11H,3-6,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZHLRTJUEMHGFGK-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.97
Rot. Bonds7

About 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79851694) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79851694
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCC(C)CN(CCC#N)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H23N3O3/c1-11(2)10-17(8-4-7-15)13(20)16-14(5-3-6-14)9-12(18)19/h11H,3-6,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZHLRTJUEMHGFGK-UHFFFAOYSA-N
XLogP1.97
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702253
2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701274
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 78974760
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846504
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 54873665

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79851694) is 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid is CC(C)CN(CCC#N)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is ZHLRTJUEMHGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)10-17(8-4-7-15)13(20)16-14(5-3-6-14)9-12(18)19/h11H,3-6,8-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).