methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate

C25H41N5O6 — CID 118313244

IUPACmethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
SMILESCOC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2cc(CCCNC(=O)OC)n(C3CCOCC3)n2)O1
InChIInChI=1S/C25H41N5O6/c1-17(29(18-6-7-18)24(31)23-15-26-14-21(36-23)16-33-2)22-13-20(5-4-10-27-25(32)34-3)30(28-22)19-8-11-35-12-9-19/h13,17-19,21,23,26H,4-12,14-16H2,1-3H3,(H,27,32)/t17-,21+,23-/m1/s1
InChIKeyRECRZLNHLXHKSX-FRGLQRNOSA-N
MW507.63 g/mol
LogP1.58
Rot. Bonds11

About methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate (PubChem CID 118313244) has the molecular formula C25H41N5O6 and a molecular weight of 507.63 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
PubChem CID118313244
Molecular FormulaC25H41N5O6
Molecular Weight507.63 g/mol
Exact Mass507.31
IUPAC Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
SMILESCOC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2cc(CCCNC(=O)OC)n(C3CCOCC3)n2)O1
InChIInChI=1S/C25H41N5O6/c1-17(29(18-6-7-18)24(31)23-15-26-14-21(36-23)16-33-2)22-13-20(5-4-10-27-25(32)34-3)30(28-22)19-8-11-35-12-9-19/h13,17-19,21,23,26H,4-12,14-16H2,1-3H3,(H,27,32)/t17-,21+,23-/m1/s1
InChIKeyRECRZLNHLXHKSX-FRGLQRNOSA-N
XLogP1.58
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate (CID 118313244) is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate is COC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2cc(CCCNC(=O)OC)n(C3CCOCC3)n2)O1.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The InChIKey is RECRZLNHLXHKSX-FRGLQRNOSA-N. The full InChI is InChI=1S/C25H41N5O6/c1-17(29(18-6-7-18)24(31)23-15-26-14-21(36-23)16-33-2)22-13-20(5-4-10-27-25(32)34-3)30(28-22)19-8-11-35-12-9-19/h13,17-19,21,23,26H,4-12,14-16H2,1-3H3,(H,27,32)/t17-,21+,23-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate has a molecular weight of 507.63 g/mol, XLogP of 1.58, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate is sourced from PubChem (CID 118313244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).