2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid

C14H18N2O5 — CID 43172563

IUPAC2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)c1ccco1)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O5/c1-8(15-12(18)10-4-3-7-21-10)11(17)16-14(2,13(19)20)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyDJMNHKFOFIYNTQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.77
Rot. Bonds6

About 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid

2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid (PubChem CID 43172563) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
PubChem CID43172563
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)c1ccco1)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O5/c1-8(15-12(18)10-4-3-7-21-10)11(17)16-14(2,13(19)20)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyDJMNHKFOFIYNTQ-UHFFFAOYSA-N
XLogP0.77
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43360356
2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61197563
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62818067
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
CID 79262022
N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24539621
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid (CID 43172563) is 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid is CC(NC(=O)c1ccco1)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid?
The InChIKey is DJMNHKFOFIYNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8(15-12(18)10-4-3-7-21-10)11(17)16-14(2,13(19)20)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid?
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 43172563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).