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

C14H26N2O3 — CID 64700453

IUPAC2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCCN(C(=O)NC1(CC(=O)O)CCCC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-4-9-16(11(2)3)13(19)15-14(10-12(17)18)7-5-6-8-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYMEQUNWVEUKYNJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.60
Rot. Bonds6

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

2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64700453) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64700453
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCCN(C(=O)NC1(CC(=O)O)CCCC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-4-9-16(11(2)3)13(19)15-14(10-12(17)18)7-5-6-8-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYMEQUNWVEUKYNJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846504
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
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-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842467
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64700480
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64701474

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64700453) is 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid is CCCN(C(=O)NC1(CC(=O)O)CCCC1)C(C)C.
What is the InChIKey of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is YMEQUNWVEUKYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9-16(11(2)3)13(19)15-14(10-12(17)18)7-5-6-8-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.60, 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]cyclopentyl]acetic acid is sourced from PubChem (CID 64700453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).