3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid

C15H22N2O4 — CID 82326863

IUPAC3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NCc1ccco1)C1CCCC1
InChIInChI=1S/C15H22N2O4/c18-14(16-10-13-6-3-9-21-13)11-17(8-7-15(19)20)12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,16,18)(H,19,20)
InChIKeyCHVHATITLMPIFZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.62
Rot. Bonds8

About 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid

3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82326863) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82326863
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NCc1ccco1)C1CCCC1
InChIInChI=1S/C15H22N2O4/c18-14(16-10-13-6-3-9-21-13)11-17(8-7-15(19)20)12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,16,18)(H,19,20)
InChIKeyCHVHATITLMPIFZ-UHFFFAOYSA-N
XLogP1.62
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 84566538
2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 60835401
2-[cyclopropyl(cyclopropylmethyl)amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 51108869
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 111332276
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55828900
2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276164
3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60838351
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid (CID 82326863) is 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid is O=C(O)CCN(CC(=O)NCc1ccco1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is CHVHATITLMPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-14(16-10-13-6-3-9-21-13)11-17(8-7-15(19)20)12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,16,18)(H,19,20).
What are the key properties of 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid?
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82326863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).