2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid

C15H22N2O4 — CID 60835401

IUPAC2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)NCc1ccco1)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H22N2O4/c1-11(15(20)16-9-13-7-4-8-21-13)17(10-14(18)19)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeySGOLEBQFKYXBDH-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.61
Rot. Bonds7

About 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 60835401) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID60835401
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)NCc1ccco1)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H22N2O4/c1-11(15(20)16-9-13-7-4-8-21-13)17(10-14(18)19)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeySGOLEBQFKYXBDH-UHFFFAOYSA-N
XLogP1.61
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
2-[azetidin-3-yl(propyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 66214705
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120172
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 60835401) is 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C(=O)NCc1ccco1)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is SGOLEBQFKYXBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(15(20)16-9-13-7-4-8-21-13)17(10-14(18)19)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 60835401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).