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

C15H22N2O4 — CID 106231107

IUPAC2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
SMILESC#CC(CC)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H22N2O4/c1-3-11(4-2)16-14(21)17-12(18)9-15(10-13(19)20)7-5-6-8-15/h1,11H,4-10H2,2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyXCBWCVPDAZZCFK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.65
Rot. Bonds6

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

2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 106231107) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
PubChem CID106231107
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
SMILESC#CC(CC)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H22N2O4/c1-3-11(4-2)16-14(21)17-12(18)9-15(10-13(19)20)7-5-6-8-15/h1,11H,4-10H2,2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyXCBWCVPDAZZCFK-UHFFFAOYSA-N
XLogP1.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61072069
2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 114417702
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
CID 106230414
1-[(pent-1-yn-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106232056
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide
CID 106230384

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid (CID 106231107) is 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid is C#CC(CC)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is XCBWCVPDAZZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-11(4-2)16-14(21)17-12(18)9-15(10-13(19)20)7-5-6-8-15/h1,11H,4-10H2,2H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 294.35 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-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 106231107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).