3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide

C12H18N2O2 — CID 81400565

IUPAC3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNC1CC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-3-2-8-16-11)14-12(15)6-7-13-10-4-5-10/h2-3,8-10,13H,4-7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyRBDRIGIARPOYCU-SECBINFHSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide

3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide (PubChem CID 81400565) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
PubChem CID81400565
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNC1CC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-3-2-8-16-11)14-12(15)6-7-13-10-4-5-10/h2-3,8-10,13H,4-7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyRBDRIGIARPOYCU-SECBINFHSA-N
XLogP1.60
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide (CID 81400565) is 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide is C[C@@H](NC(=O)CCNC1CC1)c1ccco1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
The InChIKey is RBDRIGIARPOYCU-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(11-3-2-8-16-11)14-12(15)6-7-13-10-4-5-10/h2-3,8-10,13H,4-7H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 81400565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).