1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one

C12H17N3O3 — CID 8922587

IUPAC1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@H](N[C@@H](C)c1ccco1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H17N3O3/c1-8(10-4-3-7-18-10)14-9(2)11(16)15-6-5-13-12(15)17/h3-4,7-9,14H,5-6H2,1-2H3,(H,13,17)/t8-,9-/m0/s1
InChIKeyKXNXNOHTUUTKPH-IUCAKERBSA-N
MW251.29 g/mol
LogP0.87
Rot. Bonds4

About 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one (PubChem CID 8922587) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one
PubChem CID8922587
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@H](N[C@@H](C)c1ccco1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H17N3O3/c1-8(10-4-3-7-18-10)14-9(2)11(16)15-6-5-13-12(15)17/h3-4,7-9,14H,5-6H2,1-2H3,(H,13,17)/t8-,9-/m0/s1
InChIKeyKXNXNOHTUUTKPH-IUCAKERBSA-N
XLogP0.87
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8689076
1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
CID 47010755
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
2-[1-(furan-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 43401095
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8869687
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 8755765
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one (CID 8922587) is 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one is C[C@H](N[C@@H](C)c1ccco1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is KXNXNOHTUUTKPH-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(10-4-3-7-18-10)14-9(2)11(16)15-6-5-13-12(15)17/h3-4,7-9,14H,5-6H2,1-2H3,(H,13,17)/t8-,9-/m0/s1.
What are the key properties of 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8922587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).