2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid

C16H23N3O4 — CID 122067590

IUPAC2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C16H23N3O4/c1-3-18-8-7-17-14(18)13-12(6-9-23-13)15(20)19(11-4-5-11)10(2)16(21)22/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)/t10?,12-,13-/m1/s1
InChIKeyBNUKZRJHPBGHEY-SKVSWLLESA-N
MW321.38 g/mol
LogP1.44
Rot. Bonds6

About 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid (PubChem CID 122067590) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid
PubChem CID122067590
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C16H23N3O4/c1-3-18-8-7-17-14(18)13-12(6-9-23-13)15(20)19(11-4-5-11)10(2)16(21)22/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)/t10?,12-,13-/m1/s1
InChIKeyBNUKZRJHPBGHEY-SKVSWLLESA-N
XLogP1.44
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
CID 128986828
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1H-pyrazol-4-yl)oxolane-3-carboxamide
CID 128978576
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
CID 128987407
(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide
CID 129335309
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986874
[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 128986567
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 128986192
2-cyclohexyloxy-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986230
(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128986472
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
CID 128989734
cis-(1S,3R)-3-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066905

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid (CID 122067590) is 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid is CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid?
The InChIKey is BNUKZRJHPBGHEY-SKVSWLLESA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-18-8-7-17-14(18)13-12(6-9-23-13)15(20)19(11-4-5-11)10(2)16(21)22/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)/t10?,12-,13-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid has a molecular weight of 321.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolane-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122067590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).