2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

C14H22N2O4 — CID 61069499

IUPAC2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(=O)NCC2CC2)CCCC1
InChIInChI=1S/C14H22N2O4/c17-11(16-13(20)15-9-10-3-4-10)7-14(8-12(18)19)5-1-2-6-14/h10H,1-9H2,(H,18,19)(H2,15,16,17,20)
InChIKeyUUTLMMNMPUAPIF-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.65
Rot. Bonds6

About 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069499) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069499
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(=O)NCC2CC2)CCCC1
InChIInChI=1S/C14H22N2O4/c17-11(16-13(20)15-9-10-3-4-10)7-14(8-12(18)19)5-1-2-6-14/h10H,1-9H2,(H,18,19)(H2,15,16,17,20)
InChIKeyUUTLMMNMPUAPIF-UHFFFAOYSA-N
XLogP1.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61069499) is 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NC(=O)NCC2CC2)CCCC1.
What is the InChIKey of 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is UUTLMMNMPUAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-11(16-13(20)15-9-10-3-4-10)7-14(8-12(18)19)5-1-2-6-14/h10H,1-9H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).