2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H26N2O4 — CID 106275578

IUPAC2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCNC(=O)C(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-14(2,13(21)16-3)10-17-11(18)8-15(9-12(19)20)6-4-5-7-15/h4-10H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyHUDWUFSVRDECTO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds7

About 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 106275578) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID106275578
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCNC(=O)C(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-14(2,13(21)16-3)10-17-11(18)8-15(9-12(19)20)6-4-5-7-15/h4-10H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyHUDWUFSVRDECTO-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348758
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
2-(1-(2-(Cyclopropylamino)-2-oxoethyl)cyclopentyl)acetic acid
CID 1547707
2-[1-[2-(Diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655384
Camphersaureaminoathylimid
CID 129640467
Methyl 2-[1-[2-[5-(6-isocyanohexanoylamino)pentylamino]-2-oxoethyl]cyclopentyl]acetate
CID 134852925
2-[1-[2-(5-Aminopentylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 134863040
2-[1-[2-(4-Methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]cyclopentyl]acetate
CID 2471751
2-[1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
CID 55175329
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid
CID 60662964
2-[1-[2-Oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid
CID 104858987

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 106275578) is 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CNC(=O)C(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is HUDWUFSVRDECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,13(21)16-3)10-17-11(18)8-15(9-12(19)20)6-4-5-7-15/h4-10H2,1-3H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 106275578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).