cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane

C19H32N4O3 — CID 159389215

IUPACcyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane
SMILESC.CN[C@H]1CCN(C(=O)CCc2nccn2CCC(=O)OCC2CC2)C1
InChIInChI=1S/C18H28N4O3.CH4/c1-19-15-6-9-22(12-15)17(23)5-4-16-20-8-11-21(16)10-7-18(24)25-13-14-2-3-14;/h8,11,14-15,19H,2-7,9-10,12-13H2,1H3;1H4/t15-;/m0./s1
InChIKeyLLWXQJUNMBFJKI-RSAXXLAASA-N
MW364.49 g/mol
LogP1.62
Rot. Bonds9

About cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane

cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane (PubChem CID 159389215) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane.

Molecular Properties

Compound Namecyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane
PubChem CID159389215
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Namecyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane
SMILESC.CN[C@H]1CCN(C(=O)CCc2nccn2CCC(=O)OCC2CC2)C1
InChIInChI=1S/C18H28N4O3.CH4/c1-19-15-6-9-22(12-15)17(23)5-4-16-20-8-11-21(16)10-7-18(24)25-13-14-2-3-14;/h8,11,14-15,19H,2-7,9-10,12-13H2,1H3;1H4/t15-;/m0./s1
InChIKeyLLWXQJUNMBFJKI-RSAXXLAASA-N
XLogP1.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane?
The IUPAC name of cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane (CID 159389215) is cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane.
What is the SMILES notation for cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane?
The canonical SMILES for cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane is C.CN[C@H]1CCN(C(=O)CCc2nccn2CCC(=O)OCC2CC2)C1.
What is the InChIKey of cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane?
The InChIKey is LLWXQJUNMBFJKI-RSAXXLAASA-N. The full InChI is InChI=1S/C18H28N4O3.CH4/c1-19-15-6-9-22(12-15)17(23)5-4-16-20-8-11-21(16)10-7-18(24)25-13-14-2-3-14;/h8,11,14-15,19H,2-7,9-10,12-13H2,1H3;1H4/t15-;/m0./s1.
What are the key properties of cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane?
cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane has a molecular weight of 364.49 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane is sourced from PubChem (CID 159389215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).