1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H19NO4 — CID 81409013

IUPAC1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccco1
InChIInChI=1S/C14H19NO4/c1-10(11-5-4-8-19-11)15-12(16)9-14(13(17)18)6-2-3-7-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyUPKFECZNALNGLT-JTQLQIEISA-N
MW265.31 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 81409013) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID81409013
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccco1
InChIInChI=1S/C14H19NO4/c1-10(11-5-4-8-19-11)15-12(16)9-14(13(17)18)6-2-3-7-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyUPKFECZNALNGLT-JTQLQIEISA-N
XLogP2.49
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43402811
2-(1-aminocyclohexyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400282
1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81379420
1-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662211
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 81409013) is 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is C[C@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccco1.
What is the InChIKey of 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is UPKFECZNALNGLT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(11-5-4-8-19-11)15-12(16)9-14(13(17)18)6-2-3-7-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81409013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).