[3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium

C18H19N4O3+ — CID 176831017

IUPAC[3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
SMILESC#[N+]c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)c(C2CC2)c1
InChIInChI=1S/C18H18N4O3/c1-19-12-5-6-14(15(7-12)11-3-4-11)17(23)22-16(18(24)25-2)8-13-9-20-10-21-13/h1,5-7,9-11,16H,3-4,8H2,2H3,(H-,20,21,22,23)/p+1/t16-/m1/s1
InChIKeyYOJOLQZLVXSEDE-MRXNPFEDSA-O
MW339.38 g/mol
LogP2.40
Rot. Bonds6

About [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium

[3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium (PubChem CID 176831017) has the molecular formula C18H19N4O3+ and a molecular weight of 339.38 g/mol. Its IUPAC name is [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium.

Molecular Properties

Compound Name[3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
PubChem CID176831017
Molecular FormulaC18H19N4O3+
Molecular Weight339.38 g/mol
Exact Mass339.15
IUPAC Name[3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
SMILESC#[N+]c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)c(C2CC2)c1
InChIInChI=1S/C18H18N4O3/c1-19-12-5-6-14(15(7-12)11-3-4-11)17(23)22-16(18(24)25-2)8-13-9-20-10-21-13/h1,5-7,9-11,16H,3-4,8H2,2H3,(H-,20,21,22,23)/p+1/t16-/m1/s1
InChIKeyYOJOLQZLVXSEDE-MRXNPFEDSA-O
XLogP2.40
TPSA88.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-hydroxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
CID 176831009
[3-carboxy-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
CID 176830961
[4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-3,5-dimethoxyphenyl]-methylidyneazanium
CID 176831157
[4-[[(2R)-3-(1H-imidazol-5-yl)-1-(methoxymethoxy)-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
CID 176831144
methyl (2R)-2-[(2-amino-4-ethynylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 176831201
[4-[[(2R)-3-(1H-imidazol-5-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
CID 176831065
[3-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1,2,4-triazin-6-yl]-methylidyneazanium
CID 176831046
[2,6-diformyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
CID 176830999
[4-[[(2R)-1-butan-2-yloxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium
CID 176831122
[4-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl]phenyl]-methylidyneazanium
CID 176831239
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
methyl (2S)-3-(1H-imidazol-5-yl)-2-(propan-2-ylcarbamoylamino)propanoate
CID 107876561

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?
The IUPAC name of [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium (CID 176831017) is [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium.
What is the SMILES notation for [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?
The canonical SMILES for [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium is C#[N+]c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)c(C2CC2)c1.
What is the InChIKey of [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?
The InChIKey is YOJOLQZLVXSEDE-MRXNPFEDSA-O. The full InChI is InChI=1S/C18H18N4O3/c1-19-12-5-6-14(15(7-12)11-3-4-11)17(23)22-16(18(24)25-2)8-13-9-20-10-21-13/h1,5-7,9-11,16H,3-4,8H2,2H3,(H-,20,21,22,23)/p+1/t16-/m1/s1.
What are the key properties of [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium?
[3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium has a molecular weight of 339.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-4-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]-methylidyneazanium is sourced from PubChem (CID 176831017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).