2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

C14H20N2O4 — CID 114417702

IUPAC2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESC#CC(C)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-3-10(2)15-13(20)16-11(17)8-14(9-12(18)19)6-4-5-7-14/h1,10H,4-9H2,2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyKPDOOLVWPRDVKL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 114417702) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID114417702
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESC#CC(C)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-3-10(2)15-13(20)16-11(17)8-14(9-12(18)19)6-4-5-7-14/h1,10H,4-9H2,2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyKPDOOLVWPRDVKL-UHFFFAOYSA-N
XLogP1.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.26
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-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61069687
2-[1-[2-(2,2-Difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115407550
2-[1-[2-[[2,2-Difluoroethyl(methyl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 116315659
2-[1-[2-[2-(Dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069308
2-[1-[2-(Ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61069309
2-[1-[2-[(2-Amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069310
2-[1-[2-(Cyclopropylmethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61069499
2-[1-[2-[[Methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069500
2-[1-[2-[(2-Methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069501
2-[1-[2-(Dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61069869
2-[1-[2-(3-Methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61069871
2-[1-[2-(3-Methoxypropylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070051

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 114417702) is 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is C#CC(C)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is KPDOOLVWPRDVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10(2)15-13(20)16-11(17)8-14(9-12(18)19)6-4-5-7-14/h1,10H,4-9H2,2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(but-3-yn-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 114417702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).