[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

C12H18N3O3+ — CID 8920889

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccco1
InChIInChI=1S/C12H17N3O3/c1-8(10-3-2-6-18-10)13-7-11(16)15-12(17)14-9-4-5-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H2,14,15,16,17)/p+1/t8-/m1/s1
InChIKeyVLMBJQMIDZRWOJ-MRVPVSSYSA-O
MW252.29 g/mol
LogP-0.11
Rot. Bonds5

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8920889) has the molecular formula C12H18N3O3+ and a molecular weight of 252.29 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
PubChem CID8920889
Molecular FormulaC12H18N3O3+
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccco1
InChIInChI=1S/C12H17N3O3/c1-8(10-3-2-6-18-10)13-7-11(16)15-12(17)14-9-4-5-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H2,14,15,16,17)/p+1/t8-/m1/s1
InChIKeyVLMBJQMIDZRWOJ-MRVPVSSYSA-O
XLogP-0.11
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8919610
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
CID 8919816
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755215
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium
CID 9306248
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918803

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (CID 8920889) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccco1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is VLMBJQMIDZRWOJ-MRVPVSSYSA-O. The full InChI is InChI=1S/C12H17N3O3/c1-8(10-3-2-6-18-10)13-7-11(16)15-12(17)14-9-4-5-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H2,14,15,16,17)/p+1/t8-/m1/s1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 252.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8920889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).