2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid

C14H18N2O5 — CID 43360356

IUPAC2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCNC(=O)c1ccco1)(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O5/c1-14(13(19)20,9-4-5-9)16-11(17)6-7-15-12(18)10-3-2-8-21-10/h2-3,8-9H,4-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyUEUALDTYNXKUNC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.77
Rot. Bonds7

About 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid

2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid (PubChem CID 43360356) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
PubChem CID43360356
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCNC(=O)c1ccco1)(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O5/c1-14(13(19)20,9-4-5-9)16-11(17)6-7-15-12(18)10-3-2-8-21-10/h2-3,8-9H,4-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyUEUALDTYNXKUNC-UHFFFAOYSA-N
XLogP0.77
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 64555440
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
3-(furan-2-carbonylamino)propanoic acid
CID 762504
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 114631244
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid (CID 43360356) is 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid is CC(NC(=O)CCNC(=O)c1ccco1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid?
The InChIKey is UEUALDTYNXKUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(13(19)20,9-4-5-9)16-11(17)6-7-15-12(18)10-3-2-8-21-10/h2-3,8-9H,4-7H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 43360356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).