2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid

C13H24N2O3 — CID 79846504

IUPAC2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCCN(C(=O)NC1(CC(=O)O)CCC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-4-8-15(10(2)3)12(18)14-13(6-5-7-13)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyWCDLTPVXXAXIEA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds6

About 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79846504) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79846504
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCCN(C(=O)NC1(CC(=O)O)CCC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-4-8-15(10(2)3)12(18)14-13(6-5-7-13)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyWCDLTPVXXAXIEA-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842467
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 81057853
2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79846504) is 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid is CCCN(C(=O)NC1(CC(=O)O)CCC1)C(C)C.
What is the InChIKey of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is WCDLTPVXXAXIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-8-15(10(2)3)12(18)14-13(6-5-7-13)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).