2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid

C15H26N2O4 — CID 61072069

IUPAC2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
SMILESCCC(CC)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-3-11(4-2)16-14(21)17-12(18)9-15(10-13(19)20)7-5-6-8-15/h11H,3-10H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyMHDAPOLZXKSVNL-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.43
Rot. Bonds7

About 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 61072069) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
PubChem CID61072069
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
SMILESCCC(CC)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-3-11(4-2)16-14(21)17-12(18)9-15(10-13(19)20)7-5-6-8-15/h11H,3-10H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyMHDAPOLZXKSVNL-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 106231107
2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 114417702
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396421
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61246423
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid (CID 61072069) is 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid is CCC(CC)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is MHDAPOLZXKSVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11(4-2)16-14(21)17-12(18)9-15(10-13(19)20)7-5-6-8-15/h11H,3-10H2,1-2H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61072069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).